Crystallography Open Database
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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 |
| 1516149 | CIF | C32.5 H31 Cl N2 O6 | C 1 2 1 | 43.265; 15.0547; 10.2366 90; 93.976; 90 | 6651.5 | 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 |
| 1516150 | CIF | C23 H24 O3 S | P 21 21 21 | 6.5465; 7.844; 38.945 90; 90; 90 | 1999.9 | Ohmatsu, Kohsuke; Hara, Yoshiyuki; Ooi, Takashi In situ generation of ion-paired chiral ligands: rapid identification of the optimal ligand for palladium-catalyzed asymmetric allylation Chemical Science, 2014, 5, 3645 |
| 1516151 | CIF | C46 H46 Mg O4 | C 1 2/c 1 | 19.0981; 9.6221; 22.024 90; 109.389; 90 | 3817.7 | Wang, Yang; Liu, Bo; Wang, Xue; Zhao, Wei; Liu, Dongtao; Liu, Xinli; Cui, Dongmei Immortal ring-opening polymerization of ε-caprolactone by a neat magnesium catalyst system: an approach to obtain block and amphiphilic star polymers in situ Polymer Chemistry, 2014, 5, 4580 |
| 1516152 | CIF | C16 H13 Br O3 | P 1 21 1 | 7.952; 12.184; 14.721 90; 92.596; 90 | 1424.8 | Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L. Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates. Organic letters, 2014, 16, 3036-3039 |
| 1516153 | CIF | C11 H11 Br O3 | P 21 21 21 | 12.06; 12.066; 14.641 90; 90; 90 | 2130.5 | Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L. Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates. Organic letters, 2014, 16, 3036-3039 |
| 1516154 | CIF | C10 H9 Br O3 | P 1 21 1 | 6.2085; 5.3383; 15.239 90; 95.715; 90 | 502.6 | Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L. Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates. Organic letters, 2014, 16, 3036-3039 |
| 1516155 | CIF | C24 H46 Al4 N2 O2 | P -1 | 7.361; 10.0951; 10.6561 103.037; 95.097; 96.205 | 761.67 | Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025 |
| 1516156 | CIF | C22 H38 Al4 N2 O2 | P 1 21/n 1 | 8.751; 15.3173; 10.1026 90; 90.1329; 90 | 1354.17 | Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025 |
| 1516157 | CIF | C31 H54 Al4 N2 O2 | P 1 21/n 1 | 7.1092; 21.245; 12.33 90; 92.839; 90 | 1859.98 | Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025 |
| 1516158 | CIF | C24 H10 Br2 F8 N4 | C 1 2/c 1 | 28.893; 5.2362; 17.648 90; 118.696; 90 | 2342 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516159 | CIF | C22 H8 Br2 F8 N6 | C 1 2/c 1 | 36.953; 5.2778; 11.5441 90; 90.529; 90 | 2251.4 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516160 | CIF | C24 H10 F8 I2 N4 | C 1 2/c 1 | 29.154; 5.2244; 18.283 90; 120.726; 90 | 2393.8 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516161 | CIF | C22 H8 F8 I2 N6 | C 1 2/c 1 | 28.722; 5.1901; 18.22 90; 120.623; 90 | 2337.3 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516162 | CIF | C24 H10 F8 I2 N4 | C 1 2/c 1 | 40.225; 5.8436; 25.726 90; 123.647; 90 | 5034 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516163 | CIF | C24 H10 Br2 F8 N4 | P -1 | 6.0828; 8.3133; 12.157 70.137; 84.722; 79.999 | 569.04 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516164 | CIF | C22 H8 Br2 F8 N6 | P -1 | 5.9081; 8.3193; 23.198 94.956; 93.481; 95.848 | 1127.25 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516165 | CIF | C24 H10 F8 I2 N4 | P -1 | 5.8317; 8.5364; 23.47 95.753; 96.748; 95.828 | 1146.8 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516166 | CIF | C22 H8 F8 I2 N6 | P -1 | 5.8475; 8.445; 23.132 94.99; 95.779; 96.339 | 1124 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516167 | CIF | C24 H10 F8 I2 N4 | C 1 2/c 1 | 11.097; 8.2444; 26.821 90; 91.457; 90 | 2453 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516168 | CIF | C12 H14 N2 O5 | P 1 21/n 1 | 18.385; 5.62; 12.034 90; 96.57; 90 | 1235.2 | Amit, A.; Mester, L.; Klewe, B.; Furberg, S. The Crystal Structure of Serotonin Hydrogen Oxalate Acta Chemica Scandinavica A, 1978, 267-270 |
| 1516169 | CIF | C10 H8 B2 F4 N4 | C 1 2/m 1 | 12.2662; 6.8136; 7.0499 90; 105.816; 90 | 566.9 | Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051 |
| 1516170 | CIF | C14 H16 B2 F4 N4 | P 1 21/c 1 | 9.2147; 12.1024; 7.3238 90; 108.772; 90 | 773.3 | Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051 |
| 1516171 | CIF | C18 H24 B2 F4 N4 | P 1 21/n 1 | 9.676; 13.659; 15.313 90; 103.66; 90 | 1966.6 | Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051 |
| 1516172 | CIF | C10 H9 B F2 N4 | P b c a | 12.306; 9.48; 18.766 90; 90; 90 | 2189.3 | Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051 |
| 1516173 | CIF | C14 H17 B F2 N4 | P 1 21/c 1 | 8.058; 21.225; 8.7995 90; 102.217; 90 | 1470.9 | Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051 |
| 1516174 | CIF | C26 H22 F6 N4 O4 | C 1 2/c 1 | 29.895; 12.375; 15.464 90; 107.104; 90 | 5468 | Zhang, Fa-Guang; Wei, Yi; Yi, Yu-Ping; Nie, Jing; Ma, Jun-An Regioselective Cycloaddition of Trifluorodiazoethane with Electron-Deficient Allenic Esters and Ketones: Access to CF3-Substituted Pyrazolines and Pyrazoles. Organic letters, 2014, 16, 3122-3125 |
| 1516175 | CIF | C15 H18 N2 O3 | P 1 21/n 1 | 9.4197; 8.3092; 17.992 90; 98.7; 90 | 1392 | Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation. Organic letters, 2014, 16, 3142-3145 |
| 1516176 | CIF | C14 H16 N2 O3 | P 1 21/c 1 | 7.5875; 21.568; 8.3245 90; 110.26; 90 | 1278 | Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation. Organic letters, 2014, 16, 3142-3145 |
| 1516177 | CIF | C6 Cl4 O2 | P 1 21/n 1 | 26.01; 8.1572; 28.795 90; 113.518; 90 | 5601.9 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516178 | CIF | C6 Cl4 O2 | P 1 21/c 1 | 6.0592; 16.3472; 8.1183 90; 94.249; 90 | 801.92 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516179 | CIF | C16 H14 Cl4 O2 | P 1 21/n 1 | 9.1022; 13.8161; 13.3595 90; 100.202; 90 | 1653.49 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516180 | CIF | C60 H30 Cl8 O4 | P 1 c 1 | 8.3157; 38.967; 14.2436 90; 91.718; 90 | 4613.4 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516181 | CIF | C13 H6 Cl6 O2 S4 | P 1 21/c 1 | 17; 13.405; 17.205 90; 97.907; 90 | 3883 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516182 | CIF | C12 H4 Cl4 O2 S4 | P 1 21/n 1 | 7.17; 16.961; 12.731 90; 97.176; 90 | 1536.1 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516183 | CIF | C35 H80 B11 O4 S4 | P -1 | 10.587; 11.677; 12.74 63.152; 67.095; 68.555 | 1259.4 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516184 | CIF | C19 H40 B11 S4 | P 1 21/n 1 | 9.1393; 13.3909; 12.5744 90; 109.609; 90 | 1449.6 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516185 | CIF | C23 H22 O5 | P -1 | 12.4283; 12.4686; 12.8462 85.951; 88.997; 78.875 | 1948.4 | Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451 |
| 1516186 | CIF | C22 H22 O4 | C 1 2/c 1 | 25.049; 11.3809; 14.7771 90; 117.603; 90 | 3733.2 | Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451 |
| 1516187 | CIF | C22 H22 O4 | P 1 21/c 1 | 14.8162; 14.8987; 8.3482 90; 90.134; 90 | 1842.8 | Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451 |
| 1516188 | CIF | C18 H17 O6 | P 21 21 2 | 5.4674; 29.89; 4.4627 90; 90; 90 | 729.3 | La Clair, James J.; Rheingold, Arnold L.; Burkart, Michael D. Ganodone, a bioactive benzofuran from the fruiting bodies of Ganoderma tsugae. Journal of natural products, 2011, 74, 2045-2051 |
| 1516189 | CIF | C7 H5 F O2 | P 1 21/n 1 | 3.816; 6.3759; 26.571 90; 94.353; 90 | 644.6 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516190 | CIF | C13 H11 F N2 O3 | C 1 2/c 1 | 22.913; 5.2046; 20.0132 90; 100.212; 90 | 2348.8 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516191 | CIF | C7 H5 F O2 | P 1 21/n 1 | 3.7812; 6.3418; 26.539 90; 94.11; 90 | 634.8 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516192 | CIF | C13 H10 F N2 O3 | P -1 | 7.0275; 7.4474; 12.6005 74.371; 87.185; 70.004 | 596.12 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516193 | CIF | C7 H5 F O2 | P 1 21/n 1 | 6.5525; 3.7524; 25.021 90; 92.82; 90 | 614.5 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516194 | CIF | C7 H5 F O2 | P 1 21/c 1 | 3.7041; 6.2642; 26.6604 90; 92.96; 90 | 617.78 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516195 | CIF | C7 H5 F O2 | P 1 21/c 1 | 3.7411; 6.305; 26.564 90; 93.54; 90 | 625.4 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516196 | CIF | C7 H5 F O2 | P 1 21/c 1 | 3.7637; 6.3314; 26.607 90; 93.76; 90 | 632.7 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516197 | CIF | C7 H5 F O2 | P 1 21/n 1 | 6.7465; 3.7192; 24.285 90; 92.91; 90 | 608.6 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516198 | CIF | C13 H11 F N2 O3 | C 1 2/c 1 | 22.046; 5.2078; 20.995 90; 95.888; 90 | 2397.7 | Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863 |
| 1516199 | CIF | C3 Cl N | P 4/n m m :2 | 6.27205; 6.27205; 7.41472 90; 90; 90 | 291.685 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516200 | CIF | C3 Cl N | P 4/n m m :2 | 6.26158; 6.26158; 7.40222 90; 90; 90 | 290.222 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516201 | CIF | C3 Cl N | P 4/n m m :2 | 6.28481; 6.28481; 7.43083 90; 90; 90 | 293.509 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516202 | CIF | C3 Cl N | P 4/n m m :2 | 6.24761; 6.24761; 7.38691 90; 90; 90 | 288.331 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516203 | CIF | C3 Cl N | P 4/n m m :2 | 6.27406; 6.27406; 7.41752 90; 90; 90 | 291.982 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516204 | CIF | C3 Cl N | P 4/n m m :2 | 6.24356; 6.24356; 7.38323 90; 90; 90 | 287.813 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516205 | CIF | C3 Cl N | P 4/n m m :2 | 6.25716; 6.25716; 7.39742 90; 90; 90 | 289.624 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516206 | CIF | C3 Cl N | P 4/n m m :2 | 6.26687; 6.26687; 7.40789 90; 90; 90 | 290.935 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516207 | CIF | C3 Cl N | P 4/n m m :2 | 6.27959; 6.27959; 7.42355 90; 90; 90 | 292.735 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516208 | CIF | C3 Cl N | P 4/n m m :2 | 6.25958; 6.25958; 7.39974 90; 90; 90 | 289.939 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516209 | CIF | C3 Cl N | P 4/n m m :2 | 6.28727; 6.28727; 7.43434 90; 90; 90 | 293.878 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516210 | CIF | C3 Cl N | P 4/n m m :2 | 6.27704; 6.27704; 7.42097 90; 90; 90 | 292.395 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516211 | CIF | C3 Cl N | P 4/n m m :2 | 6.25021; 6.25021; 7.38992 90; 90; 90 | 288.688 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516212 | CIF | C3 Cl N | P 4/n m m :2 | 6.25254; 6.25254; 7.39233 90; 90; 90 | 288.998 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516213 | CIF | C3 Cl N | P 4/n m m :2 | 6.26923; 6.26923; 7.41088 90; 90; 90 | 291.272 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516214 | CIF | C3 Cl N | P 4/n m m :2 | 6.28957; 6.28957; 7.43727 90; 90; 90 | 294.209 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516215 | CIF | C3 Cl N | P 4/n m m :2 | 6.2548; 6.2548; 7.39492 90; 90; 90 | 289.308 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516216 | CIF | C3 Cl N | P 4/n m m :2 | 6.2824; 6.2824; 7.42752 90; 90; 90 | 293.153 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516217 | CIF | C3 Cl N | P 4/n m m :2 | 6.24506; 6.24506; 7.38479 90; 90; 90 | 288.013 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516218 | CIF | C3 Cl N | P 4/n m m :2 | 6.26428; 6.26428; 7.40545 90; 90; 90 | 290.599 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815 |
| 1516232 | CIF | C82.5 H44 F15 N O | P -1 | 14.729; 15.302; 17.015 110.482; 91.5392; 117.76 | 3094.5 | Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro Heterotriangulenes π-Expanded at Bridging Positions. Organic letters, 2014, 16, 2868-2871 |
| 1516233 | CIF | C122.4 H59 Cl3.4 F15 N | P -1 | 26.3661; 26.5069; 39.8191 100.01; 99.1855; 99.1177 | 26552.9 | Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro Heterotriangulenes π-Expanded at Bridging Positions. Organic letters, 2014, 16, 2868-2871 |
| 1516234 | CIF | C78 H32 F15 N | C 1 2/c 1 | 25.7374; 16.733; 30.152 90; 114.227; 90 | 11841.7 | Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro Heterotriangulenes π-Expanded at Bridging Positions. Organic letters, 2014, 16, 2868-2871 |
| 1516235 | CIF | C13 H16 O6 | P b c a | 11.5879; 11.617; 19.7761 90; 90; 90 | 2662.19 | Rout, Saroj Kumar; Guin, Srimanta; Ali, Wajid; Gogoi, Anupal; Patel, Bhisma K. Copper-Catalyzed Esterification of Alkylbenzenes with Cyclic Ethers and Cycloalkanes via C(sp(3))-H Activation Following Cross-Dehydrogenative Coupling. Organic letters, 2014, 16, 3086-3089 |
| 1516236 | CIF | C49 H36 O5 | P 1 2/n 1 | 9.772; 12.0351; 17.3162 90; 93.947; 90 | 2031.68 | Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K. Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones. Organic letters, 2014, 16, 3068-3071 |
| 1516237 | CIF | C34 H24 O4 S | P -1 | 13.7369; 13.8077; 16.4824 78.442; 68.211; 80.216 | 2828.35 | Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K. Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones. Organic letters, 2014, 16, 3068-3071 |
| 1516238 | CIF | C28 H18 O2 S | P 1 21/n 1 | 9.9374; 16.1534; 13.053 90; 100.308; 90 | 2061.49 | Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K. Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones. Organic letters, 2014, 16, 3068-3071 |
| 1516239 | CIF | C13 H11 F3 O2 | P -1 | 7.6763; 10.0446; 15.7356 81.3; 82.163; 86.148 | 1186.79 | Kohn, Benjamin L.; Rovis, Tomislav Cobaltate anion couples terminal dienes with trifluoroacetic anhydride: a direct fluoroacylation of 1,3-dienes Chemical Science, 2014, 5, 2889 |
| 1516240 | CIF | C20 H16 O3 | P 1 21/c 1 | 14.24; 6.321; 36.476 90; 98.915; 90 | 3243.6 | Yang, Shu-Wen; Elangovan, Arumugasamy; Ho, Tong-Ing Donor-substituted phenyl-pi-chromones: electrochemiluminescence and intriguing electronic properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 327-332 |
| 1516241 | CIF | C34 H32 B2 Cl4 N13 O3 Pr | P 1 21/n 1 | 10.414; 21.894; 17.805 90; 99.73; 90 | 4001.2 | Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D. Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 829-834 |
| 1516242 | CIF | C34 H32 B2 Cl4 Er N13 O3 | P 1 21/n 1 | 10.8892; 20.125; 18.381 90; 105.919; 90 | 3873.6 | Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D. Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 829-834 |
| 1516243 | CIF | C22 H24 Si | C 1 2/c 1 | 15.986; 12.999; 18.745 90; 107.35; 90 | 3718 | Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G. Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 469-480 |
| 1516244 | CIF | C29 H28 O Si | P n a 21 | 17.088; 10.053; 13.654 90; 90; 90 | 2345.6 | Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G. Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 469-480 |
| 1516245 | CIF | C20 H18 N4 O2 | P 1 21/c 1 | 7.173; 10.269; 22.512 90; 90.57; 90 | 1658.14 | Insińska-Rak, Malgorzata; Sikorska, Ewa; Herance, Jose R.; Bourdelande, Jose L.; Khmelinskii, Igor V.; Kubicki, Maciej; Prukała, Wiesław; Machado, Isabel F.; Komasa, Anna; Ferreira, Luis F. V.; Sikorski, Marek Spectroscopy and photophysics of flavin-related compounds: 3-benzyl-lumiflavin. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 463-468 |
| 1516246 | CIF | C19 H24 N2 O2 | P 1 21/n 1 | 17.287; 12.249; 17.804 90; 103.09; 90 | 3672 | Lohmeyer, Britta; Margaretha, Paul Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 637-640 |
| 1516247 | CIF | C14 H18 N2 O | P 1 21/c 1 | 18.7448; 6.7681; 22.9068 90; 111.483; 90 | 2704.2 | Lohmeyer, Britta; Margaretha, Paul Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 637-640 |
| 1516248 | CIF | C39 H59 Au2 Br O2 P2 | P 1 2/a 1 | 17.211; 12.442; 22.955 90; 105.75; 90 | 4731 | Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 149-153 |
| 1516249 | CIF | C54 H42 Au2 Cl2 P2 | P 1 21/n 1 | 12.258; 16.047; 23.166 90; 98.75; 90 | 4503.8 | Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 149-153 |
| 1516250 | CIF | C156 H240 Mn6 N3 O33 Tb | P 1 21/n 1 | 19.483; 26.625; 38.568 90; 92.761; 90 | 19983 | Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets. Inorganic chemistry, 2014, 53, 5878-5880 |
| 1516251 | CIF | C159 H244 La Mn6 N4 O34 | P 1 21/n 1 | 27.1673; 19.6773; 32.4879 90; 105.531; 90 | 16733.2 | Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets. Inorganic chemistry, 2014, 53, 5878-5880 |
| 1516252 | CIF | C156 H240 Gd Mn6 N3 O33 | P 1 21/n 1 | 19.481; 26.582; 38.691 90; 92.731; 90 | 20013 | Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets. Inorganic chemistry, 2014, 53, 5878-5880 |
| 1516253 | CIF | C6 H3 F N3 S4 | P 1 21/c 1 | 4.789; 12.683; 16.599 90; 71.26; 90 | 954.8 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516254 | CIF | C6 H3 F N3 S4 | P 1 21/n 1 | 17.301; 4.0582; 26.249 90; 92.074; 90 | 1841.8 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516255 | CIF | C12 H6 F2 N6 S8 | P 1 21/c 1 | 4.6011; 12.7317; 15.9122 90; 78.949; 90 | 914.8 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516256 | CIF | C12 H6 F2 N6 S8 | P 1 21/c 1 | 4.12168; 13.2722; 14.8586 90; 84.318; 90 | 808.83 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516257 | CIF | C6 H3 F N3 S4 | P 1 21/c 1 | 4.789; 12.683; 16.281 90; 74.89; 90 | 954.7 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516258 | CIF | C12 H6 F2 N6 S8 | P 1 21/c 1 | 3.86543; 13.4994; 14.4694 90; 86.261; 90 | 753.42 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516259 | CIF | C34 H38 Si2 Sn | C 1 2/c 1 | 20.3517; 11.4308; 14.8442 90; 116.774; 90 | 3083.1 | Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles Organometallics, 2014, 33, 2910 |
| 1516260 | CIF | C37 H52 Li2 O2 Si2 Sn | P 21 21 21 | 8.4097; 13.856; 32.621 90; 90; 90 | 3801.2 | Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles Organometallics, 2014, 33, 2910 |
| 1516261 | CIF | C36 H56 Li2 O2 Si2 Sn | P -1 | 12.3909; 12.4427; 13.724 83.022; 67.354; 75.564 | 1890.4 | Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles Organometallics, 2014, 33, 2910 |
| 1516262 | CIF | C20 H38 Au Cl4 N5 | P -1 | 8.9016; 12.934; 13.6174 63.626; 78.563; 80.061 | 1370.35 | Mirabdolbaghi, Roya; Dudding, Travis; Stamatatos, Theocharis A Class of Phase-Transfer Catalyst with Interionic Strain: Insight into the Bonding of Disubstituted N- vs Carbene-Stabilized N(I)-Centered Cations. Organic letters, 2014, 16, 2790-2793 |
| 1516263 | CIF | C26 H41 Cl F9 N5 O6 | P 1 21/c 1 | 16.646; 22.121; 9.329 90; 90.328; 90 | 3435.1 | Mirabdolbaghi, Roya; Dudding, Travis; Stamatatos, Theocharis A Class of Phase-Transfer Catalyst with Interionic Strain: Insight into the Bonding of Disubstituted N- vs Carbene-Stabilized N(I)-Centered Cations. Organic letters, 2014, 16, 2790-2793 |
| 1516264 | CIF | C24 H25 Cl N2 O4 | P 21 21 21 | 11.939; 12.451; 15.057 90; 90; 90 | 2238.3 | Zhang, Han-Ming; Gao, Zhong-Hua; Ye, Song Bifunctional N-Heterocyclic Carbene-Catalyzed Highly Enantioselective Synthesis of Spirocyclic Oxindolo-β-lactams. Organic letters, 2014, 16, 3079-3081 |
| 1516265 | CIF | C24 H16 N2 O | P b c a | 14.7042; 8.8119; 27.6407 90; 90; 90 | 3581.46 | Dong, Jiaxing; Wang, Fei; You, Jingsong Copper-Mediated Tandem Oxidative C(sp(2))-H/C(sp)-H Alkynylation and Annulation of Arenes with Terminal Alkynes. Organic letters, 2014, 16, 2884-2887 |
| 1516266 | CIF | C76 H59 B F15 O7 Si U | P -1 | 13.6767; 15.7946; 16.3191 102.448; 93.042; 96.154 | 3411.96 | Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204 |
| 1516267 | CIF | C68 H52 B F15 O7 Si U | P -1 | 12.8552; 15.7463; 16.5535 100.009; 103.592; 90.593 | 3202.79 | Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204 |
| 1516268 | CIF | C54 H37 B F15 O6 Si U | P -1 | 12.0721; 12.2867; 17.884 89.672; 80.12; 78.024 | 2555.2 | Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204 |
| 1516269 | CIF | C73 H48 B F15 O7 U | P 1 | 15.1204; 16.1764; 16.4479 112.966; 96.391; 115.286 | 3157 | Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204 |
| 1516270 | CIF | C86 H82 Dy N19 O2 | P -1 | 11.6002; 15.3265; 22.3436 92.48; 95.186; 109.408 | 3720 | Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science, 2014, 5, 3287 |
| 1516271 | CIF | C86 H82 Er N19 O2 | P -1 | 11.5308; 15.2909; 22.27 92.524; 95.122; 109.342 | 3678.8 | Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science, 2014, 5, 3287 |
| 1516272 | CIF | C86 H82 Ho N19 O2 | P -1 | 11.5698; 15.3429; 22.3337 92.514; 95.132; 109.356 | 3714.1 | Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science, 2014, 5, 3287 |
| 1516273 | CIF | C76 H118 B2 K2 O8 | P b c a | 16.1537; 19.955; 22.8279 90; 90; 90 | 7358.5 | Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189 |
| 1516274 | CIF | C60 H86 B2 K2 O4 | P 1 21/c 1 | 10.3128; 14.6667; 19.3119 90; 102.005; 90 | 2857.13 | Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189 |
| 1516275 | CIF | C44 H56 B2 | P -1 | 11.337; 11.9746; 13.9071 83.312; 85.92; 88.345 | 1869.97 | Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189 |
| 1516276 | CIF | C66 H88 B2 Cl4 Co | P -1 | 11.5296; 13.4868; 14.6512 112.337; 111.343; 95.399 | 1890 | Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189 |
| 1516277 | CIF | C116 H134 Cl4 Fe2 O4 P4 | C 1 2/c 1 | 16.5044; 23.0305; 28.6494 90; 104.041; 90 | 10564.4 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516278 | CIF | C116 H134 As4 Cl4 Fe2 O4 | C 1 2/c 1 | 16.0862; 23.1908; 29.2063 90; 103.712; 90 | 10584.9 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516279 | CIF | C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3 | P -1 | 18.6002; 19.1311; 30.2819 89.89; 88.546; 84.899 | 10729.4 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516280 | CIF | C114 H130 Fe2 O4 P4 Se3 | P -1 | 13.6386; 16.2697; 23.7755 77.294; 86.087; 85.081 | 5120.9 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516281 | CIF | C114 H130 Fe2 O3 S2 | P -1 | 12.6885; 13.6189; 15.8914 103.957; 103.841; 103.076 | 2467.36 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516282 | CIF | C60 H60 Cd2 N10 O21 | C 1 2/c 1 | 47.182; 9.857; 32.787 90; 101.008; 90 | 14968 | Song, Bai-Qiao; Wang, Xin-Long; Yang, Guang-Sheng; Wang, Hai-Ning; Liang, Jun; Shao, Kui-Zhan; Su, Zhong-Min A polyrotaxane-like metal‒organic framework exhibiting luminescent sensing of Eu3+cations and proton conductivity CrystEngComm, 2014, 16, 6882 |
| 1516284 | CIF | C4 H10 N2 O5 Zn | P -1 | 9.09; 9.537; 10.42 106.112; 105.815; 106.854 | 766.9 | Mroué, Kamal H; Power, William P. High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes. The journal of physical chemistry. A, 2010, 114, 324-335 |
| 1516285 | CIF | C6 H8 Cl2 N4 Zn | P 1 21/n 1 | 7.9306; 11.7739; 11.4156 90; 105.441; 90 | 1027.45 | Mroué, Kamal H; Power, William P. High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes. The journal of physical chemistry. A, 2010, 114, 324-335 |
| 1516286 | CIF | C6 H22 N2 Na2 O10 S2 Zn | C 1 2 1 | 5.1893; 23.2065; 15.0008 90; 92.561; 90 | 1804.67 | Mroué, Kamal H; Power, William P. High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes. The journal of physical chemistry. A, 2010, 114, 324-335 |
| 1516287 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8247; 25.8247; 25.8247 90; 90; 90 | 17222.9 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516288 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.773; 25.773; 25.773 90; 90; 90 | 17119.7 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516289 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8825; 25.8825; 25.8825 90; 90; 90 | 17338.8 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516290 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.755; 25.755; 25.755 90; 90; 90 | 17083.8 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516291 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8323; 25.8323; 25.8323 90; 90; 90 | 17238.1 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516292 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7555; 25.7555; 25.7555 90; 90; 90 | 17084.8 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516293 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8604; 25.8604; 25.8604 90; 90; 90 | 17294.4 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516294 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8643; 25.8643; 25.8643 90; 90; 90 | 17302.2 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516295 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8164; 25.8164; 25.8164 90; 90; 90 | 17206.3 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516296 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7874; 25.7874; 25.7874 90; 90; 90 | 17148.4 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516297 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8751; 25.8751; 25.8751 90; 90; 90 | 17323.9 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516298 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8104; 25.8104; 25.8104 90; 90; 90 | 17194.3 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516299 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8919; 25.8919; 25.8919 90; 90; 90 | 17357.7 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516300 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.803; 25.803; 25.803 90; 90; 90 | 17179.5 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516301 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8449; 25.8449; 25.8449 90; 90; 90 | 17263.3 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516302 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8503; 25.8503; 25.8503 90; 90; 90 | 17274.2 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516303 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8382; 25.8382; 25.8382 90; 90; 90 | 17249.9 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516304 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7677; 25.7677; 25.7677 90; 90; 90 | 17109.1 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516305 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7984; 25.7984; 25.7984 90; 90; 90 | 17170.3 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516306 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7783; 25.7783; 25.7783 90; 90; 90 | 17130.2 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516307 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7894; 25.7894; 25.7894 90; 90; 90 | 17152.4 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
| 1516308 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.1454; 9.1454; 13.3651 90; 90; 90 | 1117.83 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
| 1516309 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.1827; 9.1827; 13.3572 90; 90; 90 | 1126.31 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
| 1516310 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.1666; 9.1666; 13.3662 90; 90; 90 | 1123.12 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
| 1516311 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.154; 9.154; 13.3636 90; 90; 90 | 1119.81 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
| 1516312 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.1379; 9.1379; 13.3657 90; 90; 90 | 1116.05 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
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