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 |
|---|---|---|---|---|---|---|
| 1516097 | CIF | C11 H12 O5 | C 1 c 1 | 10.4253; 12.8651; 8.1381 90; 109.962; 90 | 1025.92 | Barradas, Silvia; Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen Total synthesis of natural p-quinol cochinchinenone. Organic letters, 2012, 14, 5952-5955 |
| 1516099 | CIF | C23 H20 N2 O | P 1 21 1 | 6.4088; 17.279; 8.579 90; 101.67; 90 | 930.4 | Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles. Organic letters, 2012, 14, 6068-6071 |
| 1516100 | CIF | C22 H18 N2 | P 1 21/n 1 | 9.768; 11.392; 15.15 90; 97.216; 90 | 1672.5 | Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles. Organic letters, 2012, 14, 6068-6071 |
| 1516101 | CIF | C20 H18 O5 | P 1 21/n 1 | 16.4332; 5.5136; 18.3321 90; 106.549; 90 | 1592.2 | Truong, Phong; Shanahan, Charles S.; Doyle, Michael P. Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones. Organic letters, 2012, 14, 3608-3611 |
| 1516103 | CIF | C18 H24 N2 O | P b c n | 18.945; 8.6958; 20.3655 90; 90; 90 | 3355.1 | Zhao, Shu-Bin; Bilodeau, Eric; Lemieux, Valérie; Beauchemin, André M Hydrogen bonding directed intermolecular Cope-type hydroamination of alkenes. Organic letters, 2012, 14, 5082-5085 |
| 1516104 | CIF | C30 H28 Cl N O4 S | P -1 | 10.0293; 16.6704; 17.4029 70.567; 76.603; 78.855 | 2647.7 | Hu, Jian; Tian, Bing; Wu, Xinyan; Tong, Xiaofeng Tertiary amine-triggered cascade S(N)2/cycloaddition: an efficient construction of complex azaheterocycles under mild conditions. Organic letters, 2012, 14, 5074-5077 |
| 1516105 | CIF | C22 H26 N2 O6 | P 1 21/n 1 | 11.618; 12.024; 16.15 90; 110.574; 90 | 2112.2 | Villa, Reymundo A.; Xu, Qihai; Kwon, Ohyun Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation. Organic letters, 2012, 14, 4634-4637 |
| 1516106 | CIF | C13 H15 N O | C 1 2/c 1 | 14.0539; 11.358; 13.4342 90; 101.523; 90 | 2101.2 | Li, Xiao-Jing; Qiao, Jin-Bao; Sun, Jian; Li, Xue-Qiang; Gu, Peiming Intramolecular Schmidt Reaction of Acyl Chlorides with Alkyl Azides: Capture of N-Acyliminium Ion Intermediates with Aromatic rings. Organic letters, 2014, 16, 2865-2867 |
| 1516107 | CIF | C19 H33 N O5 S Si | P -1 | 11.8101; 12.7217; 16.841 72.829; 75.377; 75.493 | 2296.4 | Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046 |
| 1516108 | CIF | C20 H31 N O6 S Si | P -1 | 7.248; 12.231; 12.439 87.85; 81.98; 89.975 | 1091.2 | Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046 |
| 1516109 | CIF | C20 H31 N O6 S Si | P 1 21/n 1 | 6.9812; 22.209; 14.9476 90; 96.282; 90 | 2303.6 | Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046 |
| 1516110 | CIF | Cr O2 | P 42/m n m | 4.41; 4.41; 2.91 90; 90; 90 | 56.594 | Glemser, O.; Hauschild, U.; Truepel, F. Ueber Chromoxyde zwischen Cr2 O3 und Cr O3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1954, 277, 113-208 |
| 1516111 | CIF | C46 H48 N2 O Zr | P -1 | 11.0188; 13.6909; 15.087 64.169; 68.942; 75.522 | 1899.9 | Klet, Rachel C.; Theriault, Curt N.; Klosin, Jerzy; Labinger, Jay A.; Bercaw, John E. Investigations into Asymmetric Post-Metallocene Group 4 Complexes for the Synthesis of Highly Regioirregular Polypropylene Macromolecules, 2014, 47, 3317 |
| 1516112 | CIF | C36.83 H46.32 Cl2.34 N2 O Ti | P -1 | 10.387; 15.918; 21.74 76.406; 79.036; 87.948 | 3429.9 | Klet, Rachel C.; Theriault, Curt N.; Klosin, Jerzy; Labinger, Jay A.; Bercaw, John E. Investigations into Asymmetric Post-Metallocene Group 4 Complexes for the Synthesis of Highly Regioirregular Polypropylene Macromolecules, 2014, 47, 3317 |
| 1516113 | CIF | C11 H12 F N O2 | P 1 21/n 1 | 11.272; 5.8049; 16.158 90; 108.477; 90 | 1002.8 | Lu, Deng-Fu; Liu, Guan-Sai; Zhu, Cheng-Liang; Yuan, Bo; Xu, Hao Iron(II)-Catalyzed Intramolecular Olefin Aminofluorination. Organic letters, 2014, 16, 2912-2915 |
| 1516114 | CIF | C72 H23 N O8 | P -1 | 10.128; 10.497; 20.664 85.27; 77.477; 78.869 | 2102.4 | Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro Synthesis of open-cage ketolactam derivatives of fullerene c60 encapsulating a hydrogen molecule. Organic letters, 2014, 16, 2970-2973 |
| 1516115 | CIF | C23 H28 N2 O3 | P 1 21 1 | 8.5089; 9.1505; 12.5241 90; 96.049; 90 | 969.71 | Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535 |
| 1516116 | CIF | C24 H32 N2 O4 | P n a 21 | 8.6828; 21.4082; 11.2277 90; 90; 90 | 2087.04 | Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535 |
| 1516117 | CIF | C23 H28 N2 O3 | P 1 21 1 | 8.4914; 9.1548; 12.4788 90; 95.838; 90 | 965 | Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535 |
| 1516118 | CIF | C23 H28 N2 O3 | C 1 2/c 1 | 39.082; 8.588; 24.128 90; 105.802; 90 | 7792.2 | Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535 |
| 1516119 | CIF | C23 H28 N2 O3 | P 1 21 1 | 8.5096; 9.1538; 12.5333 90; 96.03; 90 | 970.882 | Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535 |
| 1516120 | CIF | B H6 N2 Na | P 1 21/c 1 | 4.97456; 7.9607; 10.2456 90; 115.166; 90 | 367.22 | Chua, Yong Shen; Pei, Qijun; Ju, Xiaohua; Zhou, Wei; Udovic, Terrence J.; Wu, Guotao; Xiong, Zhitao; Chen, Ping; Wu, Hui Alkali Metal Hydride Modification on Hydrazine Borane for Improved Dehydrogenation The Journal of Physical Chemistry C, 2014, 118, 11244 |
| 1516121 | CIF | C15 H11 N O3 | P -1 | 5.502; 21.052; 21.138 88.513; 82.982; 85.62 | 2423 | Wu, Xia; Gao, Qinghe; Liu, Shan; Wu, Anxin I2-Catalyzed Oxidative Cross-Coupling of Methyl Ketones and Benzamidines Hydrochloride: A Facile Access to α-Ketoimides. Organic letters, 2014, 16, 2888-2891 |
| 1516122 | CIF | C58 H36 O4 | P -1 | 12.469; 14.085; 14.436 114.938; 101.497; 98.755 | 2171.7 | Wackerly, Jay Wm; Zhang, Mengfei; Nodder, Stephen T.; Carlin, Stephen M.; Katz, Jeffrey L. Single Step Synthesis of Acetylene-Substituted Oxacalix[4]arenes. Organic letters, 2014, 16, 2920-2922 |
| 1516123 | CIF | C21 H20 F3 N O2 | P -1 | 6.186; 9.6029; 16.4251 77.495; 80.955; 87.557 | 940.68 | Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology, 2014, 4, 1570 |
| 1516124 | CIF | C21 H23 N O2 | P -1 | 7.7051; 10.8189; 11.1726 75.918; 86.59; 87.802 | 901.49 | Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology, 2014, 4, 1570 |
| 1516125 | CIF | C31 H39 N5 O8 S2 Zn | P 1 21/c 1 | 21.5392; 14.9764; 11.0367 90; 102.006; 90 | 3482.3 | Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615 |
| 1516126 | CIF | C30 H40 I N3 O4 Zn | P 1 21/c 1 | 20.7881; 19.8405; 7.4304 90; 97.665; 90 | 3037.3 | Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615 |
| 1516127 | CIF | C46 H64 Cl6 N6 O7 Zn | P -1 | 11.5808; 12.8843; 18.9944 78.363; 87.683; 87.378 | 2771.6 | Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615 |
| 1516128 | CIF | C92 H126 Cl3 Cr2 Li N2 O5 | P 31 2 1 | 18.945; 18.945; 25.39 90; 90; 120 | 7892 | Chen, Hua; Dawe, Louise N.; Kozak, Christopher M. Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2 Catalysis Science & Technology, 2014, 4, 1547 |
| 1516129 | CIF | C37 H34 N2 O6 S2 | P 1 21/c 1 | 17.511; 10.814; 23.711 90; 130.536; 90 | 3412.4 | Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K. Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals. Organic letters, 2014, 16, 2996-2999 |
| 1516130 | CIF | C39 H32 N4 O6 S2 | A b a 2 | 15.0516; 28.646; 18.0316 90; 90; 90 | 7774.7 | Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K. Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals. Organic letters, 2014, 16, 2996-2999 |
| 1516131 | CIF | C39 H38 N2 O8 S2 | P -1 | 8.7849; 12.6893; 16.278 85.618; 79.626; 82.116 | 1765.6 | Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K. Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals. Organic letters, 2014, 16, 2996-2999 |
| 1516132 | CIF | C19 H14 Br N2 O0.5 S | C 1 2/c 1 | 11.406; 14.522; 20.97 90; 104.457; 90 | 3363.4 | Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa N-chlorosuccinimide-promoted regioselective sulfenylation of imidazoheterocycles at room temperature. Organic letters, 2014, 16, 2978-2981 |
| 1516133 | CIF | C20 H4 Br4 Cl4 | P c a 21 | 7.4442; 27.2175; 19.194 90; 90; 90 | 3888.9 | Zagranyarski, Yulian; Chen, Long; Jänsch, Daniel; Gessner, Thomas; Li, Chen; Müllen, Klaus Toward perylene dyes by the hundsdiecker reaction. Organic letters, 2014, 16, 2814-2817 |
| 1516134 | CIF | C19 H27 N O2 S Si | P 1 21 1 | 9.154; 16.606; 13.184 90; 91.919; 90 | 2003 | Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes. Organic letters, 2014, 16, 3028-3031 |
| 1516135 | CIF | C14 H25 N O2 S Sn | P 1 21 1 | 11.1188; 10.5531; 15.6491 90; 110.738; 90 | 1717.26 | Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes. Organic letters, 2014, 16, 3028-3031 |
| 1516136 | CIF | C78 H64 Cl2 O2 P4 Rh2 | C 1 2/m 1 | 29.9133; 18.7802; 19.2461 90; 114.861; 90 | 9810.1 | Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol., 2014, 4, 3409 |
| 1516137 | CIF | C50 H47 Cl O2 P2 Rh | P -1 | 10.1367; 10.1518; 21.075 93.865; 102.017; 108.917 | 1985.2 | Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol., 2014, 4, 3409 |
| 1516138 | CIF | C20 H25 Cl F3 Ir N4 O3 S | P 1 21/n 1 | 8.92686; 16.30625; 16.1629 90; 99.0197; 90 | 2323.64 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
| 1516139 | CIF | C26 H32 Cl F6 Ir N4 O0.5 P | P 1 21 1 | 8.6499; 30.9257; 11.9013 90; 95.343; 90 | 3169.82 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
| 1516140 | CIF | C48 H47.38 B Cl Ir N4 O0.19 | P b c a | 16.815; 17.575; 28.6833 90; 90; 90 | 8476.59 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
| 1516141 | CIF | C20 H25 Cl F3 Ir N4 O3 S | P -1 | 8.1397; 12.0802; 12.1711 93.308; 98.055; 96.258 | 1174.66 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
| 1516142 | CIF | C24 H30 F6 Ir N5 O6 S2 | P -1 | 9.9198; 12.2357; 14.1911 88.964; 72.328; 67.558 | 1507.5 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
| 1516143 | CIF | C32 H38 F6 Ir N5 O7 S2 | P 1 21/c 1 | 24.2752; 11.5628; 27.0877 90; 101.757; 90 | 7443.72 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
| 1516144 | CIF | C28 H30 F6 Ir N5 O6 S2 | P 1 21/n 1 | 15.4068; 12.8634; 17.5263 90; 103.099; 90 | 3383.05 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
| 1516145 | CIF | C25 H27 Cl F3 Ir N4 O3 S | P 1 21/n 1 | 12.3897; 16.3148; 14.676 90; 114.395; 90 | 2701.69 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
| 1516146 | CIF | C30 H35 F6 Ir N8 O6 S2 | P 1 21/c 1 | 17.0427; 12.0904; 18.0154 90; 108.807; 90 | 3513.9 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
| 1516147 | CIF | C7 H9 Br O2 | P 32 | 17.8119; 17.8119; 6.2589 90; 90; 120 | 1719.7 | Zipfel, Hannes F.; Carreira, Erick M. An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines. Organic letters, 2014, 16, 2854-2857 |
| 1516148 | CIF | C21 H24 N2 O4 S | P 1 21 1 | 11.639; 5.5765; 15.5447 90; 106.278; 90 | 968.48 | Zipfel, Hannes F.; Carreira, Erick M. An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines. Organic letters, 2014, 16, 2854-2857 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!