Crystallography Open Database
Search results
Result: there are 528235 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Displaying all data in COD
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515989 | CIF | C36 H36 N4 O4 | P 1 21/c 1 | 17.232; 5.508; 17.915 90; 114.836; 90 | 1543.1 | Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters, 2014, 16, 2780-2783 |
| 1515990 | CIF | C27 H27 N3 O3 | P c a 21 | 17.384; 9.096; 28.177 90; 90; 90 | 4455 | Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters, 2014, 16, 2780-2783 |
| 1515991 | CIF | C45.5 H45.5 Cl1.5 N5 O5 | C 1 2/c 1 | 24.448; 13.284; 27.047 90; 102.463; 90 | 8577 | Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters, 2014, 16, 2780-2783 |
| 1515992 | CIF | C46 H52 N4 O18 | P 64 | 19.5118; 19.5118; 12.0531 90; 90; 120 | 3973.97 | Zhang, Juanli; Qian, Zhengyi; Wu, Xingkang; Ding, Yanjiao; Li, Jianfang; Lu, Chunhua; Shen, Yuemao Juanlimycins A and B, Ansamycin Macrodilactams from Streptomyces sp. Organic letters, 2014, 16, 2752-2755 |
| 1515993 | CIF | C29 H20 O | I 1 2/a 1 | 24.2504; 8.1885; 21.5299 90; 110.491; 90 | 4004.78 | Pal, Rumpa; Mukherjee, Somnath; Chandrasekhar, S.; Guru Row, T. N. Exploring cyclopentadienone antiaromaticity: charge density studies of various tetracyclones. The journal of physical chemistry. A, 2014, 118, 3479-3489 |
| 1515994 | CIF | C17 H16 N2 O3 S2 | P 1 21/n 1 | 10.7362; 14.1883; 12.3716 90; 108.855; 90 | 1783.42 | Li, Yiming; Pu, Jiahua; Jiang, Xuefeng A highly efficient cu-catalyzed s-transfer reaction: from amine to sulfide. Organic letters, 2014, 16, 2692-2695 |
| 1515995 | CIF | Li2 O3 Ti | C 1 2/c 1 | 5.041; 8.806; 9.727 90; 100.008; 90 | 425.2 | Dorrian, J F; Newnham, R E Refinement of the structure of Li~2~ Ti O~3~ Materials Research Bulletin, 1969, 4, 179-184 |
| 1515996 | CIF | C66 H72 N12 | F 41 3 2 | 24.242; 24.242; 24.242 90; 90; 90 | 14246 | Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Schiffmann, Florian; Jelfs, Kim E.; Chong, Samantha Y.; Little, Marc A.; Cooper, Andrew I.; Day, Graeme M. Predicted crystal energy landscapes of porous organic cages Chemical Science, 2014, 5, 2235 |
| 1515997 | CIF | C56 H56 B Cl Co F4 N4 P4 | C 1 2/c 1 | 34.2939; 12.9425; 28.6361 90; 121.872; 90 | 10793.8 | Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L. Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere Energy & Environmental Science, 2008, 1, 167 |
| 1515998 | CIF | C34 H37 B2 Co F8 N5 P2 | P 1 21/n 1 | 10.0584; 20.1715; 17.605 90; 93.102; 90 | 3566.7 | Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L. Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere Energy & Environmental Science, 2008, 1, 167 |
| 1515999 | CIF | C61 H48 Cl Fe O3 P2 Rh | P 1 | 9.356; 10.965; 12.863 75.982; 74.937; 78.025 | 1221.5 | Tanaka, Kenichi; Kinbara, Kazushi Toward autonomously operating molecular machines driven by transition-metal catalyst. Molecular bioSystems, 2008, 4, 512-514 |
| 1516000 | CIF | C20 H21 N O2 | P 1 21 1 | 12.219; 6.766; 20.899 90; 105.443; 90 | 1665.4 | Solomon, Marissa; Sivaguru, J.; Jockusch, Steffen; Adam, Waldemar; Turro, Nicholas J. Vibrational deactivation of singlet oxygen: does it play a role in stereoselectivity during photooxygenation? Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2008, 7, 531-533 |
| 1516001 | CIF | C21 H22 N2 O3 | P 1 21/c 1 | 16.102; 10.7697; 10.9403 90; 101.787; 90 | 1857.2 | Kong, Feng-Feng; Zhai, Bao-Chang; Song, Qin-Hua Substituent effects on the regioselectivity of the Paternò-Büchi reaction of 5- or/and 6-methyl substituted uracils with 4,4'-disubstituted benzophenones. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2008, 7, 1332-1336 |
| 1516002 | CIF | C21 H22 N2 O3 | P -1 | 7.7039; 9.868; 12.6926 105.832; 93.959; 96.639 | 917 | Kong, Feng-Feng; Zhai, Bao-Chang; Song, Qin-Hua Substituent effects on the regioselectivity of the Paternò-Büchi reaction of 5- or/and 6-methyl substituted uracils with 4,4'-disubstituted benzophenones. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2008, 7, 1332-1336 |
| 1516003 | CIF | C10 H17 N5 O6 | P 21 21 21 | 7.1785; 10.0813; 17.096 90; 90; 90 | 1237.2 | Clinch, Keith; Watt, Derek K.; Dixon, Rachel A.; Baars, Sylvia M.; Gainsford, Graeme J.; Tiwari, Ashish; Schwarz, Günter; Saotome, Yas; Storek, Michael; Belaidi, Abdel A.; Santamaria-Araujo, Jose A Synthesis of cyclic pyranopterin monophosphate, a biosynthetic intermediate in the molybdenum cofactor pathway. Journal of medicinal chemistry, 2013, 56, 1730-1738 |
| 1516004 | CIF | C20 H22 O7 | P 21 21 21 | 7.436; 10.803; 21.663 90; 90; 90 | 1740.2 | Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo Hydroxyclerodanes from Salvia shannoni. Journal of natural products, 2013, 76, 1970-1975 |
| 1516005 | CIF | C20 H20 O8 | P 21 21 21 | 7.47; 8.2128; 28.215 90; 90; 90 | 1731 | Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo Hydroxyclerodanes from Salvia shannoni. Journal of natural products, 2013, 76, 1970-1975 |
| 1516006 | CIF | C29 H30 N4 O7 | P 21 21 21 | 9.581; 10.936; 26.3804 90; 90; 90 | 2764.08 | Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41. Journal of natural products, 2013, 76, 1133-1140 |
| 1516007 | CIF | C28 H31 N5 O5 | P 21 21 21 | 12.4363; 13.6529; 15.6264 90; 90; 90 | 2653.23 | Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41. Journal of natural products, 2013, 76, 1133-1140 |
| 1516008 | CIF | C23 H22 N4 O4 | P 1 21 1 | 10.8171; 6.2921; 15.093 90; 96.093; 90 | 1021.46 | Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41. Journal of natural products, 2013, 76, 1133-1140 |
| 1516009 | CIF | C15 H20 O5 | P 21 21 21 | 7.2956; 10.729; 18.181 90; 90; 90 | 1423.1 | Liu, Yue; Ma, JiangHao; Zhao, Qian; Liao, ChunRu; Ding, LiQin; Chen, LiXia; Zhao, Feng; Qiu, Feng Guaiane-type sesquiterpenes from Curcuma phaeocaulis and their inhibitory effects on nitric oxide production. Journal of natural products, 2013, 76, 1150-1156 |
| 1516010 | CIF | C15 H21 O3 | P 21 21 21 | 9.003; 8.28; 18.182 90; 90; 90 | 1355.4 | Zhang, Yan; Liu, Yun-Bao; Li, Yong; Ma, Shuang-Gang; Li, Li; Qu, Jing; Zhang, Dan; Chen, Xiao-Guang; Jiang, Jian-Dong; Yu, Shi-Shan Sesquiterpenes and alkaloids from the roots of Alangium chinense. Journal of natural products, 2013, 76, 1058-1063 |
| 1516011 | CIF | C20 H32 O4 | I 4 | 20.0401; 20.0401; 9.4689 90; 90; 90 | 3802.8 | Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi Diterpenoids from the twigs and leaves of Fokienia hodginsii. Journal of natural products, 2013, 76, 1032-1038 |
| 1516012 | CIF | C20 H32 O2 | P 21 21 21 | 8.314; 10.5467; 20.9187 90; 90; 90 | 1834.26 | Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi Diterpenoids from the twigs and leaves of Fokienia hodginsii. Journal of natural products, 2013, 76, 1032-1038 |
| 1516013 | CIF | C26 H34 O7 | P 21 21 21 | 8.063; 14.9648; 20.7157 90; 90; 90 | 2499.58 | Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi Bioactive terpenoids from the fruits of Aphanamixis grandifolia. Journal of natural products, 2013, 76, 1191-1195 |
| 1516014 | CIF | C28 H38 O9 | P 21 21 21 | 6.4698; 15.2985; 26.1064 90; 90; 90 | 2583.97 | Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi Bioactive terpenoids from the fruits of Aphanamixis grandifolia. Journal of natural products, 2013, 76, 1191-1195 |
| 1516015 | CIF | C68 H72 N2 O4 | P -1 | 10.3183; 17.5597; 17.9247 118.281; 100.373; 94.895 | 2758.18 | Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Wang, Guojie; De Feyter, Steven; Iglesias, Eva Fernandez; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen; Bruce, Duncan W. Rigid tetracatenar liquid crystals derived from 1,10-phenanthroline Soft Matter, 2008, 4, 2172 |
| 1516016 | CIF | C5 H12 Cl N O2 S | P 21 21 21 | 5.1687; 8.202; 21.516 90; 90; 90 | 912.14 | Defonsi Lestard, M. E.; Díaz, S B; Puiatti, M.; Echeverría, G A; Piro, O. E.; Pierini, A. B.; Ben Altabef, A.; Tuttolomondo, M. E. Vibrational and structural behavior of (L)-cysteine ethyl ester hydrochloride in the solid state and in aqueous solution. The journal of physical chemistry. A, 2013, 117, 14243-14252 |
| 1516017 | CIF | C8 H3.33333 N6 O2.66667 | P 1 21/c 1 | 5.59928; 24.2233; 19.9883 90; 91.9071; 90 | 2709.57 | Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki Structural and spectroscopic study of 6,7-dicyano-substituted lumazine with high electron affinity and proton acidity. The journal of physical chemistry. A, 2013, 117, 3614-3624 |
| 1516018 | CIF | C19 H30 N4 O7 S2 | P 1 21 1 | 5.04229; 18.3451; 12.8083 90; 97.227; 90 | 1175.37 | Li, Fee; Bravo-Rodriguez, Kenny; Phillips, Charlotte; Seidel, Rüdiger W; Wieberneit, Florian; Stoll, Raphael; Doltsinis, Nikos L.; Sanchez-Garcia, Elsa; Sander, Wolfram Conformation and dynamics of a cyclic disulfide-bridged peptide: effects of temperature and solvent. The journal of physical chemistry. B, 2013, 117, 3560-3570 |
| 1516019 | CIF | B9 Ba Li O15 | R 3 c :H | 10.973; 10.973; 17.049 90; 90; 120 | 1777.8 | Reshak, A. H.; Chen, Xuean; Auluck, S.; Kamarudin, H.; Chyský, Jan; Wojciechowski, A.; Kityk, I. V. Linear and nonlinear optical susceptibilities and the hyperpolarizability of borate LiBaB9O15 single-crystal: theory and experiment. The journal of physical chemistry. B, 2013, 117, 14141-14150 |
| 1516020 | CIF | C36 H60 O12 | P 1 21 1 | 15.2751; 8.0457; 15.9079 90; 116.395; 90 | 1751.25 | Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201 |
| 1516021 | CIF | C36.5 H63 O12 | P 21 21 21 | 7.3172; 23.8986; 40.6627 90; 90; 90 | 7110.72 | Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201 |
| 1516022 | CIF | C36.5 H68 O15.5 | P 1 | 7.1558; 12.8203; 21.033 85.657; 88.636; 77.863 | 1880.95 | Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201 |
| 1516023 | CIF | C32 H60 O10 | P 21 21 2 | 11.2093; 38.8302; 7.2838 90; 90; 90 | 3170.34 | Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201 |
| 1516024 | CIF | C36 H58 O10 | P 1 21 1 | 15.2138; 8.0132; 16.3249 90; 116.964; 90 | 1773.84 | Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201 |
| 1516025 | CIF | C63 H54 B2 Cl3 F4 N6 | P -1 | 12.421; 14.0537; 17.9628 66.48; 79.82; 80.77 | 2815.8 | Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis of Diazo-Bridged BODIPY Dimer and Tetramer by Oxidative Coupling of β-Amino-Substituted BODIPYs. Organic letters, 2014, 16, 3004-3007 |
| 1516026 | CIF | C25 H24 N2 P2 | P 1 21/n 1 | 14.493; 10.329; 15.392 90; 109.523; 90 | 2171.68 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
| 1516027 | CIF | C32 H38 N2 P2 | P -1 | 10.216; 10.318; 14.379 79.664; 76.635; 71.842 | 1391.7 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
| 1516028 | CIF | C30 H31 N O P2 | P 1 21/n 1 | 8.608; 22.505; 13.765 90; 106.913; 90 | 2551.3 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
| 1516029 | CIF | C33.5 H34 Cl5 N O P2 Si Ti | P 1 21 1 | 11.53; 15.337; 20.85 90; 103.737; 90 | 3581.6 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
| 1516030 | CIF | C30 H25 N O P2 | P -1 | 8.701; 10.666; 13.938 70.248; 84.203; 81.578 | 1202.4 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
| 1516031 | CIF | C40 H31 Br3 Cu N3 O P | C 1 2/c 1 | 18.61; 17.503; 46.898 90; 98.136; 90 | 15122 | Zhou, Wen; Wang, Xiaoyong; Hu, Ming; Zhu, Chengcheng; Guo, Zijian A mitochondrion-targeting copper complex exhibits potent cytotoxicity against cisplatin-resistant tumor cells through multiple mechanisms of action Chemical Science, 2014, 5, 2761 |
| 1516032 | CIF | C48 H33 N3 | P 43 21 2 | 10.6097; 10.6097; 32.495 90; 90; 90 | 3657.8 | Gong, Yongyang; Zhang, Yiren; Yuan, Wang Zhang; Sun, Jing Zhi; Zhang, Yongming D–A Solid Emitter with Crowded and Remarkably Twisted Conformations Exhibiting Multifunctionality and Multicolor Mechanochromism The Journal of Physical Chemistry C, 2014, 118, 10998 |
| 1516033 | CIF | C25 H24 O4 | P 1 21 1 | 6.0714; 17.224; 19.62 90; 97.108; 90 | 2036 | Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis–Ferrier-type rearrangement catalyzed by chiral phosphoric acids Chemical Science, 2014, 5, 3515 |
| 1516034 | CIF | C29 H31 Cl2 N O6 S | P 1 21 1 | 11.615; 8.416; 15.096 90; 109.245; 90 | 1393.2 | Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis–Ferrier-type rearrangement catalyzed by chiral phosphoric acids Chemical Science, 2014, 5, 3515 |
| 1516035 | CIF | C220 H300 Au24 S20 | P -1 | 15.9929; 21.5942; 21.8042 66.888; 74.051; 73.462 | 6524.8 | Das, Anindita; Li, Tao; Li, Gao; Nobusada, Katsuyuki; Zeng, Chenjie; Rosi, Nathaniel L.; Jin, Rongchao Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster. Nanoscale, 2014, 6, 6458-6462 |
| 1516036 | CIF | C13 H9 N3 O6 S | P 1 21/n 1 | 7.1035; 8.6768; 22.2831 90; 94.802; 90 | 1368.61 | McHugh, Callum J.; Kennedy, Alan R.; Smith, W. Ewen; Graham, Duncan TNT stilbene derivatives as SERRS active species. The Analyst, 2007, 132, 986-988 |
| 1516037 | CIF | C13 H8 N4 O6 | P 21 21 21 | 7.1622; 9.0664; 20.6429 90; 90; 90 | 1340.45 | McHugh, Callum J.; Kennedy, Alan R.; Smith, W. Ewen; Graham, Duncan TNT stilbene derivatives as SERRS active species. The Analyst, 2007, 132, 986-988 |
| 1516038 | CIF | C19 H19 N O3 | P 1 21 1 | 9.5594; 5.8786; 29.704 90; 96.345; 90 | 1659 | O'Mahony, John; Karlsson, Bjorn C. G.; Mizaikoff, Boris; Nicholls, Ian A. Correlated theoretical, spectroscopic and X-ray crystallographic studies of a non-covalent molecularly imprinted polymerisation system. The Analyst, 2007, 132, 1161-1168 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!