Crystal Structures List

C₁₀₈H₃₆O₁₁₀Zn₂₂

Larsen, Randy W.Wojtas, Lukasz

The journal of physical chemistry. A (2012) 116, 30 7830-7835

a=20.251(2)Å b=20.251(2)Å c=20.251(2)Å

α=90.00° β=90.00° γ=90.00°

C₁₄H₁₄O₆

Sigalov, Mark V.Doronina, Evgeniya P.Sidorkin, Valery F.

The journal of physical chemistry. A (2012) 116, 29 7718-7725

a=6.7490(7)Å b=26.529(3)Å c=15.0820(16)Å

α=90° β=90° γ=90°

C₁₂H₈Cl₂O₄

Sigalov, Mark V.Doronina, Evgeniya P.Sidorkin, Valery F.

The journal of physical chemistry. A (2012) 116, 29 7718-7725

a=20.363(3)Å b=9.6040(17)Å c=13.438(3)Å

α=90.00° β=114.767(4)° γ=90.00°

C₂₄H₁₆N₂

Chang, Chih-Wei Bhongale, Chetan Jagdish Lee, Chi-Shen Huang, Wei-Kai Hsu, Chain-Shu Diau, Eric Wei-Guang

The Journal of Physical Chemistry C (2012) 116, 28 15146

a=19.500(12)Å b=6.929(4)Å c=26.031(16)Å

α=90.00° β=90.00° γ=90.00°

PDP-acid

C₂₇H₄₄O₅

Kashyap, Smita Jayakannan, M.

The journal of physical chemistry. B (2012) 116, 32 9820-9831

a=10.795(11)Å b=20.28(2)Å c=24.74(3)Å

α=85.30(3)° β=85.82(3)° γ=75.68(2)°

B_PP

2(C₃₄H₂₅N₂)_,2(C₃H₆O)_,2(BF₄)_,H₂O

Fortage, Jérôme Tuyèras, Fabien Peltier, Cyril Dupeyre, Grégory Calboréan, Adrian Bedioui, Fethi Ochsenbein, Philippe Puntoriero, Fausto Campagna, Sebastiano Ciofini, Ilaria Lainé, Philippe P

The journal of physical chemistry. A (2012) 116, 30 7880-7891

a=14.651(3)Å b=15.895(3)Å c=27.762(6)Å

α=90.00° β=101.73(3)° γ=90.00°

F_Q_XT

C₃₈H₃₀N_2,2(F₆P)

Fortage, Jérôme Tuyèras, Fabien Peltier, Cyril Dupeyre, Grégory Calboréan, Adrian Bedioui, Fethi Ochsenbein, Philippe Puntoriero, Fausto Campagna, Sebastiano Ciofini, Ilaria Lainé, Philippe P

The journal of physical chemistry. A (2012) 116, 30 7880-7891

a=7.9250(16)Å b=16.055(3)Å c=17.098(3)Å

α=114.32(3)° β=100.04(3)° γ=96.16(3)°

C₃₁H₂₄N₂

Lin, Che-Jen Liu, Yi-Hung Peng, Shie-Ming Yang, Jye-Shane

The journal of physical chemistry. B (2012) 116, 28 8222-8232

a=9.0927(2)Å b=14.0793(4)Å c=19.015Å

α=111.408(2)° β=91.151(3)° γ=90.305(2)°

C₄₂H₄₂N₂O_3.5Pt

Lin, Che-Jen Liu, Yi-Hung Peng, Shie-Ming Yang, Jye-Shane

The journal of physical chemistry. B (2012) 116, 28 8222-8232

a=20.9579(5)Å b=13.4509(2)Å c=12.1771(2)Å

α=90.00° β=92.231(2)° γ=90.00°

C₄₈H_80.80N₄O_32.40S₄

Chen, Ling Zhang, Ying-Ming Liu, Yu

The journal of physical chemistry. B (2012) 116, 31 9500-9506

a=14.825(2)Å b=19.659(3)Å c=21.761(4)Å

α=90.00° β=95.970(4)° γ=90.00°

C₄₈H₅₈N₄O₂₁S₄

Chen, Ling Zhang, Ying-Ming Liu, Yu

The journal of physical chemistry. B (2012) 116, 31 9500-9506

a=8.063(2)Å b=12.420(3)Å c=12.585(4)Å

α=89.910(8)° β=86.228(10)° γ=82.075(10)°

C₅₈Cr₆K₂N₆O₇₀SiW₁₂

Eguchi, Ryo Uchida, Sayaka Mizuno, Noritaka

The Journal of Physical Chemistry C (2012) 116, 30 16105

a=32.2759(4)Å b=25.4517(3)Å c=13.9332(2)Å

α=90.0000° β=110.0530(8)° γ=90.0000°

C₆₂H₅₈Br₂Cl₂N₂Pd

He, Susan Buelt, Ashley A.Hanley, Jessica M.Morgan, Brad P.Tennyson, Andrew G.Smith, Rhett C.

Macromolecules (2012) 45, 16 6344

a=48.072(10)Å b=8.9440(18)Å c=32.086(6)Å

α=90.00° β=113.00(3)° γ=90.00°

C₂₇H₂₉BrO₂

He, Susan Buelt, Ashley A.Hanley, Jessica M.Morgan, Brad P.Tennyson, Andrew G.Smith, Rhett C.

Macromolecules (2012) 45, 16 6344

a=8.1338(11)Å b=9.7350(15)Å c=14.8934(19)Å

α=89.772(6)° β=87.339(6)° γ=89.842(6)°

C₇H₁₀O₃

Darensbourg, Donald J.Wei, Sheng-Hsuan

Macromolecules (2012) 45, 15 5916

a=6.393(2)Å b=9.267(3)Å c=11.825(4)Å

α=90.00° β=90.00° γ=90.00°

12026

C₅₂H₇₄Al₂N₈O_14,2(C₇D₈)

Ding, Keying Miranda, Maria O.Moscato-Goodpaster, Beth Ajellal, Noureddine Breyfogle, Laurie E.Hermes, Eric D.Schaller, Chris P.Roe, Stephanie E.Cramer, Christopher J.Hillmyer, Marc A.Tolman, William B.

Macromolecules (2012) 45, 13 5387

a=24.8952(13)Å b=14.1208(7)Å c=23.1567(18)Å

α=90.00° β=121.5610(10)° γ=90.00°

C₂₇H₃₂O₈

Li, Jun Li, Min-Yi Feng, Gang Zhang, Jing Karonen, Maarit Sinkkonen, Jari Satyanandamurty, Tirumani Wu, Jun

Journal of natural products (2012) 75, 7 1277-1283

a=10.6167(2)Å b=10.7288(2)Å c=21.4811(4)Å

α=90.00° β=90.00° γ=90.00°

C₅₉H₇₀O₁₈

Li, Jun Li, Min-Yi Feng, Gang Zhang, Jing Karonen, Maarit Sinkkonen, Jari Satyanandamurty, Tirumani Wu, Jun

Journal of natural products (2012) 75, 7 1277-1283

a=11.2839(2)Å b=10.5826(2)Å c=22.4195(4)Å

α=90.00° β=95.031(2)° γ=90.00°

C₁₇H₁₈O₇

Feng, Yu Wang, Lin Niu, Shubin Li, Li Si, Yikang Liu, Xingzhong Che, Yongsheng

Journal of natural products (2012) 75, 7 1339-1345

a=6.2340(12)Å b=11.064(2)Å c=22.677(5)Å

α=90.00° β=90.00° γ=90.00°

C₂₇H₅₀O₇Si₂

Chambers, Jennifer M.Huang, David C. S.Lindqvist, Lisa M.Savage, G. Paul White, Jonathan M.Rizzacasa, Mark A.

Journal of natural products (2012) 75, 8 1500-1504

a=8.2450(2)Å b=10.6777(3)Å c=36.1362(14)Å

α=90.00° β=90.00° γ=90.00°

C₂₃H₁₅IO

Chen, Zhiyuan Zeng, Mengjing Yuan, Jianjun Yang, Qin Peng, Yiyuan

Organic letters (2012) 14, 14 3588-3591

a=18.199(5)Å b=26.703(8)Å c=7.364(2)Å

α=90.00° β=90.00° γ=90.00°

C₂₄H₁₈FIO₂

Chen, Zhiyuan Zeng, Mengjing Yuan, Jianjun Yang, Qin Peng, Yiyuan

Organic letters (2012) 14, 14 3588-3591

a=9.566(8)Å b=9.734(9)Å c=11.985(8)Å

α=105.07(5)° β=98.08(5)° γ=102.89(5)°

C₂₀H₁₉NO₅S

Kulshrestha, Aman Salehi Marzijarani, Nastaran Dilip Ashtekar, Kumar Staples, Richard Borhan, Babak

Organic letters (2012) 14, 14 3592-3595

a=7.6654(7)Å b=10.4255(10)Å c=13.2440(18)Å

α=105.2440(10)° β=98.4400(10)° γ=110.1520(10)°

C₁₆H₁₉NO₅S

Kulshrestha, Aman Salehi Marzijarani, Nastaran Dilip Ashtekar, Kumar Staples, Richard Borhan, Babak

Organic letters (2012) 14, 14 3592-3595

a=7.4553(7)Å b=10.7405(10)Å c=11.3712(11)Å

α=65.8500(10)° β=86.6440(10)° γ=88.9920(10)°

C₁₉H₂₈N₂O₂S

Lin, Hua Tan, Yu Sun, Xing-Wen Lin, Guo-Qiang

Organic letters (2012) 14, 15 3818-3821

a=9.2607(9)Å b=10.5798(11)Å c=20.273(2)Å

α=90.00° β=90.00° γ=90.00°

C₃₁H₂₇NO₃S

Wang, Linfei Fan, Renhua

Organic letters (2012) 14, 14 3596-3599

a=13.792(6)Å b=11.557(5)Å c=16.464(7)Å

α=90.00° β=105.732(5)° γ=90.00°

C₃₂H₃₂NO₅S

Wang, Linfei Fan, Renhua

Organic letters (2012) 14, 14 3596-3599

a=12.735(5)Å b=14.681(5)Å c=15.443(6)Å

α=90.00° β=103.359(5)° γ=90.00°

C₂₅H₂₁BO₅

Husain, Syed Masood Schätzle, Michael A Röhr, Caroline Lüdeke, Steffen Müller, Michael

Organic letters (2012) 14, 14 3600-3603

a=7.14747(10)Å b=15.2642(2)Å c=19.1468(3)Å

α=90.00° β=90.00° γ=90.00°

Cyclopentanone

C₁₅H₁₆O₆

Truong, Phong Shanahan, Charles S.Doyle, Michael P.

Organic letters (2012) 14, 14 3608-3611

a=7.8075(7)Å b=11.0061(10)Å c=16.7006(15)Å

α=90.00° β=101.0693(14)° γ=90.00°

Organic compound

C₁₄H₁₆O₅

Truong, Phong Shanahan, Charles S.Doyle, Michael P.

Organic letters (2012) 14, 14 3608-3611

a=6.5631(4)Å b=9.7944(6)Å c=11.1236(6)Å

α=70.3642(7)° β=83.1234(8)° γ=71.5902(7)°

C₃₇H₄₇NO₇

Ma, Ai-Jun Tu, Yong-Qiang Peng, Jin-Bao Dou, Qing-Yun Hou, Si-Hua Zhang, Fu-Min Wang, Shao-Hua

Organic letters (2012) 14, 14 3604-3607

a=8.472(11)Å b=14.485(18)Å c=15.543(20)Å

α=68.440(11)° β=79.441(13)° γ=74.597(12)°

C₃₃H₃₇N₃O₄

Ma, Ai-Jun Tu, Yong-Qiang Peng, Jin-Bao Dou, Qing-Yun Hou, Si-Hua Zhang, Fu-Min Wang, Shao-Hua

Organic letters (2012) 14, 14 3604-3607

a=10.608(6)Å b=11.553(6)Å c=12.532(7)Å

α=90.00° β=99.670(5)° γ=90.00°

C₃₃H₃₇N₃O₄

Ma, Ai-Jun Tu, Yong-Qiang Peng, Jin-Bao Dou, Qing-Yun Hou, Si-Hua Zhang, Fu-Min Wang, Shao-Hua

Organic letters (2012) 14, 14 3604-3607

a=8.798(2)Å b=11.027(3)Å c=30.298(7)Å

α=90.00° β=90.00° γ=90.00°

C₂₂H₂₁NO₄S

Chen, Bo Fan, Wu Chai, Guobi Ma, Shengming

Organic letters (2012) 14, 14 3616-3619

a=15.4952(6)Å b=19.4413(8)Å c=13.8414(6)Å

α=90.00° β=107.3010(10)° γ=90.00°

C₂₃H₂₅NO₄

Fu, Tsung-Hao McElroy, William T.Shamszad, Mariam Martin, Stephen F.

Organic letters (2012) 14, 15 3834-3837

a=13.7042(6)Å b=9.7308(5)Å c=14.7628(8)Å

α=90.00° β=96.649(2)° γ=90.00°

C₄₄H₄₈N₄O₂

Bhargava Rao, Billa Wei, Jun-Ru Lin, Chih-Hsiu

Organic letters (2012) 14, 14 3640-3643

a=41.6679(13)Å b=6.9812(2)Å c=12.1463(3)Å

α=90° β=92.385(2)° γ=90°

C_71.33H₅₃F₆O_0.33P₃Ru

Ma, Hao-Wei Lin, Ying-Chih Huang, Shou-Ling

Organic letters (2012) 14, 15 3846-3849

a=35.4603(2)Å b=35.4603(2)Å c=25.4746(2)Å

α=90.00° β=90.00° γ=120.00°

C₃₂H₃₂O

Liu, Hongqiang El-Salfiti, Mohamed Chai, David I.Auffret, Jérémy Lautens, Mark

Organic letters (2012) 14, 14 3648-3651

a=10.2613(6)Å b=14.1399(10)Å c=16.2722(9)Å

α=90.00° β=90.00° γ=90.00°

C₂₆H₂₇NO₂

Liu, Hongqiang El-Salfiti, Mohamed Chai, David I.Auffret, Jérémy Lautens, Mark

Organic letters (2012) 14, 14 3648-3651

a=9.6278(3)Å b=9.9460(3)Å c=11.6593(4)Å

α=98.774(2)° β=99.335(2)° γ=110.505(1)°

C₃₄H₃₆F₂S₂Si₂

Lehnherr, Dan Waterloo, Andreas R.Goetz, Katelyn P.Payne, Marcia M.Hampel, Frank Anthony, John E.Jurchescu, Oana D.Tykwinski, Rik R.

Organic letters (2012) 14, 14 3660-3663

a=7.0493(17)Å b=7.9236(15)Å c=16.025(2)Å

α=87.014(13)° β=84.846(15)° γ=63.64(2)°

C₄₀H₄₈F₂S₂Si₂

Lehnherr, Dan Waterloo, Andreas R.Goetz, Katelyn P.Payne, Marcia M.Hampel, Frank Anthony, John E.Jurchescu, Oana D.Tykwinski, Rik R.

Organic letters (2012) 14, 14 3660-3663

a=7.5855(7)Å b=8.1701(8)Å c=16.2295(12)Å

α=100.990(7)° β=92.320(7)° γ=98.594(8)°

C₂₄H₂₄Br₂O₇S₂

Lehnherr, Dan Waterloo, Andreas R.Goetz, Katelyn P.Payne, Marcia M.Hampel, Frank Anthony, John E.Jurchescu, Oana D.Tykwinski, Rik R.

Organic letters (2012) 14, 14 3660-3663

a=9.1549(3)Å b=10.2793(3)Å c=14.5581(4)Å

α=79.6984(3)° β=77.6664(3)° γ=69.1243(3)°

C₁₅H₁₅ClO

Ayala, Caitlan E.Villalpando, Andres Nguyen, Alex L.McCandless, Gregory T.Kartika, Rendy

Organic letters (2012) 14, 14 3676-3679

a=8.6724(12)Å b=12.418(2)Å c=11.9146(16)Å

α=90.00° β=103.379(5)° γ=90.00°

C₁₇H₁₉ClO

Ayala, Caitlan E.Villalpando, Andres Nguyen, Alex L.McCandless, Gregory T.Kartika, Rendy

Organic letters (2012) 14, 14 3676-3679

a=5.7947(13)Å b=8.725(3)Å c=15.227(3)Å

α=102.201(15)° β=96.988(14)° γ=105.02(2)°

C₃₂H₂₈N₂O₄S₂

Mo, Juntae Eom, Dahan Lee, Euichul Lee, Phil Ho

Organic letters (2012) 14, 14 3684-3687

a=9.7758(3)Å b=22.9743(8)Å c=24.7453(9)Å

α=90.00° β=90.00° γ=90.00°

C₂₂H₄₀I₂OSi

Zhang, Guo-Biao Wang, Fang-Xin Du, Ji-Yuan Qu, Hu Ma, Xiao-Yan Wei, Meng-Xue Wang, Cheng-Tao Li, Qiong Fan, Chun-An

Organic letters (2012) 14, 14 3696-3699

a=12.045(5)Å b=12.170(5)Å c=18.967(8)Å

α=74.718(4)° β=73.818(4)° γ=89.647(4)°

C₂₇H₅₂O₄Si₂

Zhang, Guo-Biao Wang, Fang-Xin Du, Ji-Yuan Qu, Hu Ma, Xiao-Yan Wei, Meng-Xue Wang, Cheng-Tao Li, Qiong Fan, Chun-An

Organic letters (2012) 14, 14 3696-3699

a=11.025(11)Å b=11.690(11)Å c=13.630(13)Å

α=69.352(11)° β=74.860(11)° γ=67.864(11)°

C₂₂H₂₁BrN₂O₃

Han, Yan-Yan Han, Wen-Yong Hou, Xue Zhang, Xiao-Mei Yuan, Wei-Cheng

Organic letters (2012) 14, 16 4054-4057

a=10.2542(2)Å b=14.2847(3)Å c=13.2826(4)Å

α=90.00° β=96.513(2)° γ=90.00°

C₁₃H₁₈N₂O₄S

Rit, Raja K.Yadav, M. Ramu Sahoo, Akhila K.

Organic letters (2012) 14, 14 3724-3727

a=8.2059(13)Å b=8.9224(12)Å c=10.4898(16)Å

α=86.679(12)° β=81.307(13)° γ=75.039(12)°

C₁₂H₁₅ClNS_2,BF₄

Ziyaei Halimehjani, Azim Hajiloo Shayegan, Mojtaba Hashemi, Mohammad Mahmoodi Notash, Behrooz

Organic letters (2012) 14, 15 3838-3841

a=7.9705(16)Å b=15.394(3)Å c=12.527(3)Å

α=90.00° β=94.37(3)° γ=90.00°

C₂₁H₁₈O₄S₂

Orue, Ane Reyes, Efraím Vicario, Jose L.Carrillo, Luisa Uria, Uxue

Organic letters (2012) 14, 14 3740-3743

a=38.5256(8)Å b=5.85580(10)Å c=17.9538(4)Å

α=90° β=113.551(3)° γ=90°

C_40.4H_44.8Cl_0.8O₂

Matsumura, Daiki Kitazawa, Kentaroh Terai, Seiya Kochi, Takuya Ie, Yutaka Nitani, Masashi Aso, Yoshio Kakiuchi, Fumitoshi

Organic letters (2012) 14, 15 3882-3885

a=6.2191(5)Å b=14.7673(11)Å c=19.2467(17)Å

α=70.958(3)° β=78.593(3)° γ=85.754(2)°

C₁₈H₁₃BrN₂O

Gao, Kai Wu, Bo Yu, Chang-Bin Chen, Qing-An Ye, Zhi-Shi Zhou, Yong-Gui

Organic letters (2012) 14, 15 3890-3893

a=4.6748(5)Å b=14.5081(17)Å c=24.325(3)Å

α=90.00° β=90.00° γ=90.00°

C₂₀H₁₄S₂

Mamada, Masashi Minamiki, Tsukuru Katagiri, Hiroshi Tokito, Shizuo

Organic letters (2012) 14, 16 4062-4065

a=5.885(5)Å b=7.453(7)Å c=17.080(17)Å

α=90.00° β=90.927(12)° γ=90.00°

C₂₀H₁₄S₂

Mamada, Masashi Minamiki, Tsukuru Katagiri, Hiroshi Tokito, Shizuo

Organic letters (2012) 14, 16 4062-4065

a=14.175(7)Å b=7.407(4)Å c=7.026(3)Å

α=90.00° β=99.317(7)° γ=90.00°

C_34.5H₂₉Cl₃N_1.5O₆

Zhong, Fangrui Chen, Guo-Ying Han, Xiaoyu Yao, Weijun Lu, Yixin

Organic letters (2012) 14, 14 3764-3767

a=28.6050(19)Å b=16.6826(11)Å c=15.5685(10)Å

α=90.00° β=116.4390(10)° γ=90.00°

1-(2-(4-Nitrophenyl)-4-phenyl-1H-pyrrol-3-yl)pyridinium bromide

Br_,C₂₁H₁₆N₃O₂

Khlebnikov, Alexander F.Golovkina, Maria V.Novikov, Mikhail S.Yufit, Dmitry S.

Organic letters (2012) 14, 14 3768-3771

a=7.6877(3)Å b=18.9804(6)Å c=12.6305(4)Å

α=90.00° β=91.18(2)° γ=90.00°

1-(2,4-Diphenyl-1H-pyrrol-3-yl)-2-methylpyridinium bromide

C₂₂H₁₈N_2,0.5(O)_,0.25(C₂O₂)_,Br

Khlebnikov, Alexander F.Golovkina, Maria V.Novikov, Mikhail S.Yufit, Dmitry S.

Organic letters (2012) 14, 14 3768-3771

a=25.2498(8)Å b=8.5555(3)Å c=19.2815(6)Å

α=90.00° β=111.345(10)° γ=90.00°

1-(2,4,5-Triphenyl-1H-pyrrol-3-yl)pyridinium bromide

Br_,H₂O_,C₂₇H₂₁N₂

Khlebnikov, Alexander F.Golovkina, Maria V.Novikov, Mikhail S.Yufit, Dmitry S.

Organic letters (2012) 14, 14 3768-3771

a=9.5612(4)Å b=10.7890(5)Å c=12.4446(5)Å

α=85.831(2)° β=70.146(2)° γ=67.185(2)°

1-(2-(4-methoxy)-4-phenyl-1H-pyrrol-3-yl)piridinium hydrocarbonate

C₂₂H₁₉N₂O_,CHO₃

Khlebnikov, Alexander F.Golovkina, Maria V.Novikov, Mikhail S.Yufit, Dmitry S.

Organic letters (2012) 14, 14 3768-3771

a=8.5504(7)Å b=10.5045(8)Å c=11.7210(11)Å

α=66.320(8)° β=75.505(8)° γ=84.878(7)°

C₃₈H₃₇NO₃SSi

Kang, Dongjin Park, Sangjune Ryu, Taekyu Lee, Phil Ho

Organic letters (2012) 14, 15 3912-3915

a=15.0916(8)Å b=15.9436(5)Å c=15.3361(8)Å

α=90.00° β=113.493(2)° γ=90.00°

C₃₀H_20,CH₄O

Rivera-Fuentes, Pablo Rekowski, Margarete von Wantoch Schweizer, W. Bernd Gisselbrecht, Jean-Paul Boudon, Corinne Diederich, François

Organic letters (2012) 14, 16 4066-4069

a=25.324(11)Å b=25.324Å c=5.877(3)Å

α=90.00° β=90.00° γ=120.00°

C₃₆H₂₆

Rivera-Fuentes, Pablo Rekowski, Margarete von Wantoch Schweizer, W. Bernd Gisselbrecht, Jean-Paul Boudon, Corinne Diederich, François

Organic letters (2012) 14, 16 4066-4069

a=10.6839(3)Å b=23.5559(7)Å c=10.7016(3)Å

α=90.00° β=115.2010(10)° γ=90.00°

C₇₃H₁₆Cl₂F₆LiO₂P

Matsuo, Yutaka Okada, Hiroshi Maruyama, Masashi Sato, Hiroyasu Tobita, Hiromi Ono, Yoshihiro Omote, Kenji Kawachi, Kazuhiko Kasama, Yasuhiko

Organic letters (2012) 14, 14 3784-3787

a=9.8919(13)Å b=19.910(3)Å c=21.435(3)Å

α=90.0000° β=99.567(7)° γ=90.0000°

C₃₀H₅₂O₇

Yang, Peng Li, Pei-Fang Qu, Jin Tang, Liang-Fu

Organic letters (2012) 14, 15 3932-3935

a=9.639(4)Å b=10.137(4)Å c=31.136(13)Å

α=90.00° β=94.509(9)° γ=90.00°

C₆₈H₆₆N₆O_16,CHCl₃

Thiampanya, Preecha Muangsin, Nongnuj Pulpoka, Buncha

Organic letters (2012) 14, 16 4050-4053

a=17.9165(5)Å b=16.5501(4)Å c=22.8972(6)Å

α=90.00° β=101.7260(10)° γ=90.00°