Crystallography Open Database

Result: there are 299 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching space group like 'I 1 2 1'

Blue left arrow Blue left arrow First | Blue left arrow Previous 20 | of 15 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1548119 CIFC39 H54 O7I 1 2 118.06063; 9.22305; 20.6152
90; 91.6998; 90
3432.45Wei, Yunlong; Wang, Chao; Cheng, Zhongbin; Tian, Xiangge; Jia, Jingming; Cui, Yonglei; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Ma, Xiaochi
Heterodimeric Diterpenoids Isolated from Euphorbia ebracteolata Roots and Their Inhibitory Effects on α-Glucosidase.
Journal of natural products, 2017, 80, 3218-3223
1549108 CIFC18 H30 F5 I Ni P2I 1 2 18.0074; 11.3665; 12.9665
90; 94.616; 90
1176.33Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549109 CIFC18 H30 F5 I Ni P2I 1 2 17.8675; 11.3291; 12.9347
90; 94.392; 90
1149.51Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549115 CIFC18 H30 F5 I Ni P2I 1 2 17.892; 11.3325; 12.9439
90; 94.434; 90
1154.19Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549566 CIFC53 H48 Cl4 Os P2 SiI 1 2 113.9889; 16.453; 21.3301
90; 97.273; 90
4869.82Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
Facile synthesis of polycyclic metallaarynes.
Chemical science, 2018, 9, 5994-5998
1550166 CIFC22 H31 Ir O2I 1 2 110.8334; 8.23239; 22.2298
90; 98.0838; 90
1962.86Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.
Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis
Chemical Science, 2019
1551328 CIFC80 H119 Cl2 N12 O9.5I 1 2 121.7305; 19.737; 22.9973
90; 105.506; 90
9504.4Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551329 CIFC83 H137 N12 O15I 1 2 121.644; 19.7822; 23.2696
90; 105.704; 90
9591.4Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551358 CIFC27 H32 O7I 1 2 110.7987; 9.1936; 27.3628
90; 97.543; 90
2693.04Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White
Chemoselective methylene oxidation in aromatic molecules
Nature Chemistry, 2019, 11, 213-221
1551879 CIFC88 H104 N12I 1 2 117.5354; 18.0598; 24.493
90; 90.554; 90
7756.2Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper
Molecular shape sorting using molecular organic cages
Nature Chemistry, 2013, 5, 276-281
1551880 CIFC88 H104 N12I 1 2 117.701; 18.026; 24.9002
90; 90.293; 90
7945Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper
Molecular shape sorting using molecular organic cages
Nature Chemistry, 2013, 5, 276-281
1552192 CIFC88 H198 N2 O24 Si6 U2I 1 2 114.2946; 16.3627; 25.1526
90; 99.031; 90
5810.2Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella
Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands
Chemical Science, 2019
1552554 CIFC21 H24 Cl N O4I 1 2 17.3616; 8.6802; 31.9635
90; 92.7; 90
2040.2Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You
Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.
Journal of agricultural and food chemistry, 2019, 67, 2175-2182
1552603 CIFC16 H17 Cl O6I 1 2 113.508; 5.3369; 22.2879
90; 95.528; 90
1599.28Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee
Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis.
Journal of natural products, 2019, 82, 101-110
1552884 CIFC23 H20 OI 1 2 117.3724; 5.5677; 18.8919
90; 111.661; 90
1698.27Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.
Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.
Chemical science, 2020, 11, 494-498
1552949 CIFC16.05 H12.45 N O5I 1 2 115.0405; 8.4792; 13.8431
90; 106.602; 90
1691.83Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien
Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.
Chemical science, 2020, 11, 403-408
1553413 CIFC28 H20 SI 1 2 115.4081; 6.0485; 22.1271
90; 102.299; 90
2014.83Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong
Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?
Materials Chemistry Frontiers, 2017, 1, 1125
1554448 CIFC28 H33 Br O3I 1 2 126.357; 7.5712; 24.9141
90; 92.458; 90
4967.1Liu, Lin; Song, Huayue; Chen, Peng; Yuan, Ziyun; Feng, Shangbiao; Zhang, Weiwei; Fang, Bowen; Xie, Xingang; She, Xuegong
Total synthesis of (−)-8-epi-chromazonarol enabled by a unique N2H4·H2O promoted intramolecular oxa-Michael cyclization reaction
Organic Chemistry Frontiers, 2018, 5, 3013
1554470 CIFC26 H30 N4 O9I 1 2 19.9349; 5.4755; 25.351
90; 101.162; 90
1353Chen, Jinhong; Li, Junfang; Zhu, Longqing; Peng, Xue; Feng, Yiyue; Lu, Yingmei; Hu, Xiaoling; Liang, Jianpin; Zhao, Quanyi; Wang, Zhen
Total synthesis and structure revision of chrysamide B
Organic Chemistry Frontiers, 2018, 5, 3402
1555043 CIFC25 H28 O10I 1 2 111.9189; 6.5987; 26.7335
90; 100.124; 90
2069.83Pan, Dongyan; Zhang, Xuexia; Zheng, Haizhou; Zheng, Zhihui; Nong, Xuhua; Liang, Xiao; Ma, Xuan; Qi, Shuhua
Novel anthraquinone derivatives as inhibitors of protein tyrosine phosphatases and indoleamine 2,3-dioxygenase 1 from the deep-sea derived fungus Alternaria tenuissima DFFSCS013
Organic Chemistry Frontiers, 2019, 6, 3252

Blue left arrow Blue left arrow First | Blue left arrow Previous 20 | of 15 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!