Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1550100 | CIF | C31 H34 N2 O6 | P 1 21/c 1 | 11.235; 17.6516; 13.4798 90; 96.269; 90 | 2657.27 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550101 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.3258; 17.8349; 13.4077 90; 95.8; 90 | 2694.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550102 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 10.843; 17.862; 13.913 90; 91.715; 90 | 2693.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550103 | CIF | C31 H34 N2 O7 | P 1 21 1 | 11.4733; 17.6286; 13.653 90; 93.29; 90 | 2756.88 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550104 | CIF | C31 H34 N2 O5.9 | P 1 21/c 1 | 11.197; 17.627; 13.199 90; 96.347; 90 | 2589.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550105 | CIF | C31 H34.42 N2 O6.42 | P 1 21/c 1 | 11.282; 17.856; 13.46 90; 96.06; 90 | 2696.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550106 | CIF | C62 H67.84 N4 O11.72 | P 1 21 1 | 11.346; 17.508; 13.4 90; 98.15; 90 | 2635 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550107 | CIF | C31 H34 N2 O6.51 | P 1 21/c 1 | 11.253; 17.66; 13.247 90; 95.787; 90 | 2619.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550108 | CIF | C31 H34.55 N2 O6.14 | P 1 21/c 1 | 11.176; 17.608; 13.305 90; 95.426; 90 | 2606.5 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550109 | CIF | C31 H34 N2 O6.47 | P 1 21/c 1 | 11.487; 17.514; 13.31 90; 95.95; 90 | 2663 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550110 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.195; 17.69; 13.449 90; 94.4; 90 | 2656 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550111 | CIF | C31 H33 N2 O7 | P 1 21/c 1 | 11.475; 17.669; 13.248 90; 94.87; 90 | 2676 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550112 | CIF | C31 H34.12 N2 O6.33 | P 1 21/c 1 | 11.296; 17.807; 13.459 90; 95.99; 90 | 2692.5 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550113 | CIF | C31 H34 N2 O6.17 | P 1 21/c 1 | 11.199; 17.71; 13.4 90; 94.85; 90 | 2648 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550114 | CIF | C31 H34 N2 O6.27 | P 1 21/c 1 | 11.369; 17.66; 13.539 90; 95.632; 90 | 2705.2 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550115 | CIF | C31 H34 N2 O6.46 | P 1 21/c 1 | 11.102; 17.701; 13.437 90; 94.667; 90 | 2632 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550116 | CIF | C31 H34 N2 O6.4 | P 1 21/c 1 | 11.41; 17.772; 13.55 90; 95.891; 90 | 2733.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550117 | CIF | C31 H34 N2 O6.81 | P 1 21/c 1 | 11.405; 17.746; 13.511 90; 95.49; 90 | 2721.99 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550118 | CIF | C62 H68.91 N4 O13.03 | P 1 21 1 | 11.246; 17.607; 13.523 90; 94.19; 90 | 2671 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550119 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.319; 17.672; 13.391 90; 93.9; 90 | 2672.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550120 | CIF | C31.1 H33.33 N2 O6.35 | P 1 21/c 1 | 11.153; 17.701; 13.336 90; 95.232; 90 | 2621.8 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550121 | CIF | C31 H34 N2 O6.69 | P 1 21/c 1 | 11.404; 17.591; 13.269 90; 95.526; 90 | 2649 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550122 | CIF | C62 H67.8 N4 O12.63 | P 1 21 1 | 11.237; 17.571; 13.374 90; 94.584; 90 | 2632.2 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550123 | CIF | C31 H34 N2 O6.49 | P 1 21/c 1 | 11.279; 17.633; 13.377 90; 94.51; 90 | 2652 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550124 | CIF | C31 H34 N2 O8 | P 1 21/c 1 | 11.074; 17.895; 14 90; 92.859; 90 | 2770.9 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550146 | CIF Paper | C16 H14 O3 | P -1 | 6.0671; 7.5611; 13.8523 92.078; 93.838; 90.994 | 633.49 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550147 | CIF | C16 H14 O3 | P 21 21 21 | 6.113; 7.3809; 55.524 90; 90; 90 | 2505.2 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550148 | CIF | C16 H14 O3 | P 21 21 21 | 6.113; 7.3809; 55.524 90; 90; 90 | 2505.2 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1551110 | CIF | C18 H16 N4 O5 | P 1 21/n 1 | 8.0803; 13.8722; 14.7217 90; 95.773; 90 | 1641.81 | Sumitra N. Mangasuli; Kallappa M. Hosamani; Praveen B. Managutti Microwave assisted synthesis of coumarin-purine derivatives: An approach to in vitro anti-oxidant, DNA cleavage, crystal structure, DFT studies and Hirshfeld surface analysis Heliyon, 2019, 5, e01131 |
| 1551111 | CIF | C16 H28 Co N6 S4 | P b c m | 8.5881; 24.4244; 11.4808 90; 90; 90 | 2408.2 | A. A. Bagabasa; M. Alsawalha; M. Sohail; S. Alhoshan; R. Arasheed Synthesis, crystal structure, and characterization of cyclohexylammonium tetraisothiocyanatocobaltate(II): A single-source precursor for cobalt sulfide and oxide nanostructures Heliyon, 2019, 5, e01139 |
| 1551334 | CIF | C19 H21 Br O10 | C 1 2 1 | 28.107; 6.679; 13.398 90; 117.776; 90 | 2225.4 | Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath A multistep single-crystal-to-single-crystal bromodiacetylene dimerization Nature Chemistry, 2013, 5, 327-334 |
| 1551335 | CIF | C19 H21 Br O10 | C 1 2 1 | 28.5038; 6.6628; 13.4137 90; 117.232; 90 | 2265.1 | Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath A multistep single-crystal-to-single-crystal bromodiacetylene dimerization Nature Chemistry, 2013, 5, 327-334 |
| 1551336 | CIF | C19 H21 Br O10 | P 21 21 21 | 7.2835; 12.3657; 24.4205 90; 90; 90 | 2199.45 | Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath A multistep single-crystal-to-single-crystal bromodiacetylene dimerization Nature Chemistry, 2013, 5, 327-334 |
| 1551390 | CIF | C65 H65 N5 | P -1 | 13.52; 14.217; 17.557 103.495; 103.098; 102.405 | 3065.8 | Semin Lee; Chun-Hsing Chen; Amar H. Flood A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes Nature Chemistry, 2013, 5, 704-710 |
| 1551391 | CIF | C174 H196 N17 O13.5 P | P -1 | 17.781; 18.62; 31.361 74.262; 76.314; 66.192 | 9048 | Semin Lee; Chun-Hsing Chen; Amar H. Flood A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes Nature Chemistry, 2013, 5, 704-710 |
| 1551419 | CIF | C37 H50 N2 O11 | P 1 21 1 | 10.5002; 10.3073; 16.5868 90; 93.853; 90 | 1791.1 | Russell R. A. Kitson; Chuan-Hsin Chang; Rui Xiong; Huw E. L. Williams; Adrienne L. Davis; William Lewis; Donna L. Dehn; David Siegel; S. Mark Roe; Chrisostomos Prodromou; David Ross; Christopher J. Moody Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90 Nature Chemistry, 2013, 5, 307-314 |
| 1551486 | CIF | C30 H32 F4 I2 N6 O4 | P -1 | 6.3339; 15.5864; 17.6362 88.14; 83.243; 78.306 | 1693 | Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed Halogen-bonding-triggered supramolecular gel formation Nature Chemistry, 2013, 5, 42-47 |
| 1551487 | CIF | C22 H20 F4 I2 N6 O2 | P 1 21/c 1 | 4.6214; 9.4623; 28.332 90; 91.188; 90 | 1238.7 | Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed Halogen-bonding-triggered supramolecular gel formation Nature Chemistry, 2013, 5, 42-47 |
| 1551489 | CIF | C84 H34 Cl8 | P -1 | 10.181; 16.443; 18.458 72.977; 83.516; 72.387 | 2815.1 | Katsuaki Kawasumi; Qianyan Zhang; Yasutomo Segawa; Lawrence T. Scott; Kenichiro Itami A grossly warped nanographene and the consequences of multiple odd-membered-ring defects Nature Chemistry, 2013, 5, 739-744 |
| 1551546 | CIF | C43 H54 N2 O3 | P -1 | 9.414; 9.4615; 23.4843 87.8308; 79.2432; 63.911 | 1843.3 | Lixu Yang; Catherine Adam; Gary S. Nichol; Scott L. Cockroft How much do van der Waals dispersion forces contribute to molecular recognition in solution? Nature Chemistry, 2013, 5, 1006-1010 |
| 1551874 | CIF | C135.75 H59.5 Gd2 N4 Ni | P 1 21/c 1 | 20.4825; 14.8334; 25.3877 90; 96.261; 90 | 7667.4 | Jianyuan Zhang; Faye L. Bowles; Daniel W. Bearden; W. Keith Ray; Tim Fuhrer; Youqing Ye; Caitlyn Dixon; Kim Harich; Richard F. Helm; Marilyn M. Olmstead; Alan L. Balch; Harry C. Dorn A missing link in the transformation from asymmetric to symmetric metallofullerene cages implies a top-down fullerene formation mechanism Nature Chemistry, 2013, 5, 880-885 |
| 1551875 | CIF | C29 H46 Ir N5 P2 | F d d 2 | 19.853; 42.232; 14.782 90; 90; 90 | 12393.7 | Stefan Michlik; Rhett Kempe A sustainable catalytic pyrrole synthesis Nature Chemistry, 2013, 5, 140-144 |
| 1551876 | CIF | C33 H47 Ir N5 P2 | P 32 | 23.001; 23.001; 17.621 90; 90; 120 | 8073.4 | Stefan Michlik; Rhett Kempe A sustainable catalytic pyrrole synthesis Nature Chemistry, 2013, 5, 140-144 |
| 1551877 | CIF | C114.75 H141 N12 | C 2 2 21 | 28.3772; 35.137; 21.3407 90; 90; 90 | 21279 | Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry, 2013, 5, 276-281 |
| 1551878 | CIF | C108 H129 N12 | P 21 21 21 | 20.515; 28.04; 35.607 90; 90; 90 | 20483 | Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry, 2013, 5, 276-281 |
| 1551879 | CIF | C88 H104 N12 | I 1 2 1 | 17.5354; 18.0598; 24.493 90; 90.554; 90 | 7756.2 | Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry, 2013, 5, 276-281 |
| 1551880 | CIF | C88 H104 N12 | I 1 2 1 | 17.701; 18.026; 24.9002 90; 90.293; 90 | 7945 | Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry, 2013, 5, 276-281 |
| 1551881 | CIF | C18 H16.19 Br N2 O1.6 | P 1 21 1 | 7.4574; 5.66; 19.1444 90; 97.282; 90 | 801.55 | Ling Li; Chao-Yuan Wang; Rongcai Huang; Mark R. Biscoe Stereoretentive Pd-catalysed Stille cross-coupling reactions of secondary alkyl azastannatranes and aryl halides Nature Chemistry, 2013, 5, 607-612 |
| 1552029 | CIF | C65 H57 Cl6 O3 Os P3 | P 1 21/n 1 | 13.8326; 28.3948; 15.8845 90; 109.685; 90 | 5874.4 | Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia Stabilization of anti-aromatic and strained five-membered rings with a transition metal Nature Chemistry, 2013, 5, 698-703 |
| 1552030 | CIF | C65 H58 B2 Cl5 F8 O3 Os P3 | P -1 | 13.8145; 15.1705; 17.3902 80.617; 81.263; 63.058 | 3192.9 | Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia Stabilization of anti-aromatic and strained five-membered rings with a transition metal Nature Chemistry, 2013, 5, 698-703 |
| 1552031 | CIF | C67.5 H60 B Cl5.5 F4 O2 Os P3 S | P 1 21/n 1 | 13.501; 11.592; 41.963 90; 93.416; 90 | 6555.7 | Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia Stabilization of anti-aromatic and strained five-membered rings with a transition metal Nature Chemistry, 2013, 5, 698-703 |
| 1552032 | CIF | C70 H58 B Cl F4 N O2 Os P3 | P -1 | 11.9255; 16.0492; 16.8145 66.863; 80.698; 80.809 | 2904 | Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia Stabilization of anti-aromatic and strained five-membered rings with a transition metal Nature Chemistry, 2013, 5, 698-703 |
| 1552038 | CIF | C52 H58 B Cl2 Fe2 N O S2 | P 1 21/n 1 | 11.6074; 27.348; 15.1345 90; 97.21; 90 | 4766.3 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552039 | CIF | C26 H34 Fe2 S2 | P -1 | 10.788; 15.1458; 16.0306 85.671; 80.231; 70.333 | 2430.25 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552040 | CIF | C30 H44 F6 Fe2 N2 O P S2 | P 1 21/n 1 | 10.782; 11.971; 27.44 90; 97.181; 90 | 3514 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552041 | CIF | C27 H38 Fe2 N2 S2 | C m c 21 | 20.976; 8.383; 15.189 90; 90; 90 | 2671 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552042 | CIF | C27 H38 F6 Fe2 N2 P S2 | P 1 21/n 1 | 11.8105; 21.889; 12.4062 90; 105.239; 90 | 3094.5 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552043 | CIF | C66 H65 B F24 Fe2 N2 O2 S2 | P -1 | 13.0962; 17.5004; 19.4221 113.607; 96.424; 108.902 | 3705.95 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552044 | CIF | C51 H59 B Fe2 N2 S2 | P 1 21/n 1 | 12.79; 9.938; 36.438 90; 100.079; 90 | 4560 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552045 | CIF | C50 H56 B Fe2 N S2 | P 1 21/c 1 | 12.471; 19.5462; 18.2725 90; 90.138; 90 | 4454.1 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552046 | CIF | C51 H58 B Fe2 N S2 | P 1 21/c 1 | 12.5508; 19.5577; 18.2624 90; 90.383; 90 | 4482.7 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552050 | CIF | C22 H31 N2 O3 P Ru | P 1 21/c 1 | 8.246; 16.988; 16.411 90; 101.3; 90 | 2254.3 | Ekambaram Balaraman; Eugene Khaskin; Gregory Leitus; David Milstein Catalytic transformation of alcohols to carboxylic acid salts and H2 using water as the oxygen atom source Nature Chemistry, 2013, 5, 122-125 |
| 1552063 | CIF | C39 H42 Br N O10 | P 1 | 8.0123; 9.5367; 12.5723 76.698; 83.324; 77.616 | 910.87 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552064 | CIF | C18 H22 Br N O6 | C 1 2 1 | 25.835; 10.3517; 7.2252 90; 102.657; 90 | 1885.3 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552065 | CIF | C12 H16 O6 | P -1 | 6.891; 9.592; 10.273 102.611; 90.215; 106.979 | 632.1 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552066 | CIF | C17 H18 O6 | P 1 21/c 1 | 9.695; 13.257; 12.556 90; 106.298; 90 | 1548.9 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552067 | CIF | C14 H18 O6 | P 21 21 21 | 8.9133; 12.178; 12.9803 90; 90; 90 | 1408.96 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552068 | CIF | C13 H18 O6 | P 1 21/n 1 | 6.8942; 8.0356; 23.889 90; 90.741; 90 | 1323.3 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552069 | CIF | C13 H16 O6 | P 1 21/n 1 | 7.7457; 12.057; 14.063 90; 98.045; 90 | 1300.4 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552070 | CIF | C11 H12 O5 | P -1 | 6.1277; 7.5181; 10.9862 91.291; 98.594; 91.918 | 499.96 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552071 | CIF | C8 H9 N O2 | P 1 21/c 1 | 5.6893; 10.7024; 12.4002 90; 95.454; 90 | 751.62 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552077 | CIF | C48 H64 F6 N6 O10 Pd2 S2 | C 1 2/c 1 | 18.868; 14.993; 23.283 90; 107.387; 90 | 6286 | Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas Sponge-like molecular cage for purification of fullerenes Nature Communications, 2014, 5, 5557 |
| 1552078 | CIF | C264 H280 N32 O16 Pd8 Zn2 | P 4/m n c | 32.76; 32.76; 35.29 90; 90; 90 | 37874 | Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas Sponge-like molecular cage for purification of fullerenes Nature Communications, 2014, 5, 5557 |
| 1552079 | CIF | C340 H280 N32 O16 Pd8 Zn2 | P 4/m n c | 32.16; 32.16; 34.85 90; 90; 90 | 36044.2 | Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas Sponge-like molecular cage for purification of fullerenes Nature Communications, 2014, 5, 5557 |
| 1552080 | CIF | C380 H280 N23 O16 Pd8 Z | P 4/m n c | 32.202; 32.202; 34.972 90; 90; 90 | 36265 | Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas Sponge-like molecular cage for purification of fullerenes Nature Communications, 2014, 5, 5557 |
| 1553077 | CIF | C48 H82 Br2 Co N4 O4 | P 1 21/c 1 | 16.0231; 19.3117; 32.4862 90; 91.744; 90 | 10047.7 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553078 | CIF | C54 H92 Br2 Co N5 O5 | P 1 21/c 1 | 10.7544; 28.8912; 18.3199 90; 97.037; 90 | 5649.3 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553079 | CIF | C32 H46 Br2 Co N3 O4 | P 1 2/n 1 | 18.491; 8.1781; 21.8017 90; 93.873; 90 | 3289.4 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553080 | CIF | C56 H82 Br2 Co N4 O4 | P 1 21/n 1 | 10.4432; 13.5068; 39.638 90; 95.944; 90 | 5561 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553081 | CIF | C33 H44 Li N O3 Si | P n a 21 | 18.7063; 11.4184; 13.9803 90; 90; 90 | 2986.1 | Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R. A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides Chem. Sci., 2014, 5, 4831 |
| 1553082 | CIF | C42 H48 Co N P2 Si2 | P -1 | 9.28; 12.256; 18.651 98.324; 91.537; 106.636 | 2005.9 | Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R. A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides Chem. Sci., 2014, 5, 4831 |
| 1553856 | CIF | C81 H82 O10 | P -1 | 12.0438; 14.5042; 22.049 72.623; 76.291; 77.888 | 3530.8 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553857 | CIF | C44 H48 O12 | P 1 21/n 1 | 12.791; 20.978; 14.779 90; 98.582; 90 | 3921 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553858 | CIF | C90 H125 N3 O10 | P -1 | 13.633; 15.357; 20.965 91.591; 94.087; 111.251 | 4073.6 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553859 | CIF | C42 H46 O11 | P 1 21 1 | 14.289; 23.102; 20.977 90; 108.428; 90 | 6570 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553860 | CIF | C119 H158 Cl9 O10 | P -1 | 14.89; 18.123; 21.671 81.371; 82.134; 87.707 | 5726 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553861 | CIF | C110 H140 O10 | C 1 2/c 1 | 43.045; 21.347; 23.043 90; 104.773; 90 | 20474 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553862 | CIF | C82 H85 O12 | P 1 21 1 | 16.77; 21.69; 18.89 90; 93.48; 90 | 6858 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553863 | CIF | C75 H110 O10 | P -1 | 16.619; 16.686; 16.858 95.191; 117.822; 114.325 | 3527.9 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553864 | CIF | C81 H84 O10 | P -1 | 12.31; 16.48; 18.98 83.427; 80.887; 69.254 | 3548 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553865 | CIF | C82 H86 Cl2 O10 | P -1 | 12.2178; 15.0675; 20.9593 78.186; 85.869; 67.284 | 3483.6 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553872 | CIF | C30 H30 I N3 O5 | P 21 21 21 | 12.1518; 12.3848; 19.412 90; 90; 90 | 2921.5 | Zhu, Jing-Yan; Yang, Wu-Lin; Liu, Yang-Zi; Shang, Shao-Jing; Deng, Wei-Ping A copper(i)-catalyzed asymmetric Mannich reaction of glycine Schiff bases with isatin-derived ketimines: enantioselective synthesis of 3-substituted 3-aminooxindoles Organic Chemistry Frontiers, 2018, 5, 70 |
| 1553873 | CIF | C13 H23 N O4 S | P 21 21 21 | 6.1598; 8.133; 31.1006 90; 90; 90 | 1558.07 | Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters Organic Chemistry Frontiers, 2018, 5, 36 |
| 1553874 | CIF | C21 H24 N2 O6 S | P 21 21 21 | 7.9925; 13.9906; 19.0487 90; 90; 90 | 2130.02 | Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters Organic Chemistry Frontiers, 2018, 5, 36 |
| 1553880 | CIF | C10 H8 Cl N O2 | P 1 21/c 1 | 3.8516; 11.2844; 21.4208 90; 89.074; 90 | 930.89 | Ledovskaya, Maria S.; Rodygin, Konstantin S.; Ananikov, Valentine P. Calcium-mediated one-pot preparation of isoxazoles with deuterium incorporation Organic Chemistry Frontiers, 2018, 5, 226 |
| 1553883 | CIF | C43 H60 N2 P Sc Si2 | P -1 | 10.8597; 13.0923; 18.0508 75.984; 74.865; 66.722 | 2247.6 | Gao, Hongjie; Su, Jianhong; Xu, Pengfei; Xu, Xin Scandium-catalyzed C(sp3)‒H alkylation of N,N-dimethyl anilines with alkenes Organic Chemistry Frontiers, 2018, 5, 59 |
| 1553884 | CIF | C19 H20 O | P 1 21/c 1 | 8.859; 21.377; 8.0979 90; 106.44; 90 | 1470.9 | Zang, Wenqing; Wei, Yin; Shi, Min Gold(i) catalyzed cascade cyclization: intramolecular two-fold nucleophilic addition to vinylidenecyclopropanes (VDCPs) Organic Chemistry Frontiers, 2018, 5, 197 |
| 1553885 | CIF | C15 H12 Cl2 O2 | P -1 | 6.059; 8.893; 13.346 91.59; 93.75; 108.42 | 679.9 | Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes Organic Chemistry Frontiers, 2018, 5, 561 |
| 1553886 | CIF | C18 H20 O2 | P -1 | 8.26; 10.221; 10.602 102.5; 107.52; 109.03 | 756.2 | Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes Organic Chemistry Frontiers, 2018, 5, 561 |
| 1553887 | CIF | C18 H17 N O3 S | P 1 21/c 1 | 17.558; 9.331; 9.8891 90; 91.367; 90 | 1619.71 | Sun, Deli; Zhang, Ronghua Transition-metal-free, visible-light-induced oxidative cross-coupling for constructing β-acetylamino acrylosulfones from sodium sulfinates and enamides Organic Chemistry Frontiers, 2018, 5, 92 |
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