Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1516524 | CIF | C24 H20 O2 | P 21 21 21 | 8.9315; 9.1942; 21.867 90; 90; 90 | 1795.7 | Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones. Organic letters, 2014, 16, 3348-3351 |
| 1516525 | CIF | C35 H34 N2 O3 | P 21 21 21 | 8.284; 13.944; 23.978 90; 90; 90 | 2770 | Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones. Organic letters, 2014, 16, 3348-3351 |
| 1516526 | CIF | C28 H30 N2 O3 | P 1 | 6.63; 8.27; 22.07 89.6; 87.7; 80 | 1191 | Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones. Organic letters, 2014, 16, 3348-3351 |
| 1516527 | CIF | C19 H22 N2 O4 | P 1 21/c 1 | 7.297; 12.192; 19.971 90; 94.898; 90 | 1770.2 | Patel, Pitambar; Chang, Sukbok N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction. Organic letters, 2014, 16, 3328-3331 |
| 1516528 | CIF | C26 H29 F3 Ir N O4 | P 1 21/n 1 | 16.479; 8.855; 17.7803 90; 103.143; 90 | 2526.6 | Patel, Pitambar; Chang, Sukbok N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction. Organic letters, 2014, 16, 3328-3331 |
| 1516529 | CIF | C20 H20 N2 O2 | P 1 21/n 1 | 9.508; 10.4245; 17.1939 90; 98.397; 90 | 1685.92 | Patel, Pitambar; Chang, Sukbok N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction. Organic letters, 2014, 16, 3328-3331 |
| 1516530 | CIF | C39 H55 F N3 Nb | P -1 | 10.795; 12.323; 13.68 79.363; 87.377; 88.428 | 1786.3 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516531 | CIF | C39 H53 F2 N3 Nb | P -1 | 10.8194; 12.3148; 13.7249 79.695; 87.396; 88.376 | 1797 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516532 | CIF | C39 H54 F2 N3 Nb | P -1 | 10.9151; 12.301; 13.7072 79.714; 87.243; 88.804 | 1808.6 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516533 | CIF | C39 H52 F4 N3 Nb | P 1 21/c 1 | 12.7898; 11.5223; 24.9612 90; 91.217; 90 | 3677.7 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516534 | CIF | C30 H40 Cl2 Fe2 N6 O18 | P -1 | 11.473; 12.9171; 14.4931 113.07; 100.094; 90.982 | 1936.74 | Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science, 2014, 5, 2282 |
| 1516535 | CIF | C32 H38 F6 Fe2 N6 O15 S2 | P -1 | 11.5827; 13.4954; 14.5372 114.729; 99.954; 90.485 | 2024.6 | Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O–O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science, 2014, 5, 2282 |
| 1516536 | CIF | C236 H212 N20 O66 S4 Zn16 | P b a n :2 | 20.78; 34.908; 14.4254 90; 90; 90 | 10464 | Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L. Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF Chemical Science, 2014, 5, 2297 |
| 1516537 | CIF | C40 H60 Cr4 P4 | I -4 | 11.9954; 11.9954; 13.9537 90; 90; 90 | 2007.79 | Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science, 2014, 5, 2443 |
| 1516538 | CIF | C30 H45 As2 Cr3 | P b c a | 15.3898; 18.4053; 21.8004 90; 90; 90 | 6175.05 | Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science, 2014, 5, 2443 |
| 1516539 | CIF | C18 H24 N3 O6 P Ru | P 1 21/n 1 | 14.595; 9.371; 15.859 90; 114.51; 90 | 1973.6 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516540 | CIF | C21 H31 N4 O5 P Ru | P 1 21/c 1 | 11.58624; 15.39855; 13.23391 90; 98.3744; 90 | 2335.9 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516541 | CIF | C50 H68 N8 O14 P2 Ru2 | P -1 | 9.8881; 12.5811; 12.6829 72.028; 67.58; 67.069 | 1319.4 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516542 | CIF | C50 H62 N8 O11 P2 Ru2 | P -1 | 13.7555; 14.6826; 16.8467 70.736; 76.491; 64.286 | 2877.47 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516543 | CIF | C19 H28 Cl Ir N2 | P 1 21/c 1 | 14.111; 17.412; 15.429 90; 90.833; 90 | 3790.5 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516544 | CIF | C18 H25 Cl Ir N S | P 1 21/n 1 | 7.6461; 8.621; 27.688 90; 92.184; 90 | 1823.8 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516545 | CIF | C24 H29 Cl3 Ir N S | P 1 21/c 1 | 10.73; 14.462; 16.791 90; 104.557; 90 | 2521.9 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516546 | CIF | C22 H29 Cl Ir N | P 1 21/n 1 | 12.207; 25.172; 13.887 90; 108.18; 90 | 4054 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516547 | CIF | C20 H27 Cl Ir N | P 1 21/c 1 | 8.1332; 27.444; 17.333 90; 95.18; 90 | 3853.1 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516548 | CIF | C18 H25 Cl N Rh S | P 1 21/n 1 | 7.5951; 8.5873; 28.051 90; 92.441; 90 | 1827.9 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516549 | CIF | C24 H29 Cl3 N Rh S | P 1 21/c 1 | 10.631; 14.413; 16.681 90; 104.834; 90 | 2470.8 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516550 | CIF | C22 H29 Cl N Rh | P 1 21/n 1 | 12.211; 25.326; 13.879 90; 108.751; 90 | 4064.4 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516551 | CIF | C31 H40 B2 F8 Fe N6 O5 | P -1 | 11.904; 12.224; 13.994 107.153; 110.035; 103.564 | 1695.5 | Jeon, Ie-Rang; Park, Jesse G.; Haney, Chad R.; Harris, T. David Spin crossover iron(ii) complexes as PARACEST MRI thermometers Chemical Science, 2014, 5, 2461 |
| 1516552 | CIF | C69.8 H92.54 B2 Cl8 F3.27 Ir N P2 | P 1 21/c 1 | 13.2199; 34.9437; 18.4595 90; 105.914; 90 | 8200.57 | Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546 |
| 1516553 | CIF | C112.5 H163 B2 F25 Ir2 P4 | P 21 2 21 | 16.435; 17.3; 20.951 90; 90; 90 | 5957 | Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546 |
| 1516554 | CIF | C70 H118 B4 Cl8 Ir N3 P2 | P -1 | 12.7377; 12.8491; 25.1406 99.5231; 98.255; 95.4001 | 3986.57 | Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546 |
| 1516555 | CIF | C15 H23 B Mn O3 P | P 63/m | 16.5774; 16.5774; 10.5446 90; 90; 120 | 2509.54 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516556 | CIF | C18 H24 B Mn N2 O2 | P 1 21/c 1 | 24.302; 7.8695; 21.291 90; 115.979; 90 | 3660.4 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516557 | CIF | C18 H24 B Mn N2 O2 | P n a 21 | 21.1662; 7.9276; 21.8218 90; 90; 90 | 3661.6 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516558 | CIF | C18 H23 B Mn N O2 | C 1 2/c 1 | 24.5671; 8.1978; 18.4064 90; 111.169; 90 | 3456.8 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516559 | CIF | C16 H22 B Mn N2 O2 | P 1 21/c 1 | 14.4606; 12.5027; 18.2085 90; 93.815; 90 | 3284.7 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516560 | CIF | C76 H100 B4 Mn4 N8 O8 | P 1 21/c 1 | 15.2676; 8.5852; 15.8554 90; 113.848; 90 | 1900.81 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene–carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516561 | CIF | C26 H32 B Mn N2 O3 | P n m a | 13.024; 9.225; 19.975 90; 90; 90 | 2400 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516562 | CIF | C15 H29 B N2 | P b c a | 14.3661; 12.0848; 18.962 90; 90; 90 | 3292 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene–carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516563 | CIF | C14 H12 F N O2 | P 1 21/c 1 | 17.7553; 4.9562; 13.1145 90; 95.52; 90 | 1148.71 | Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427 |
| 1516564 | CIF | C20 H15 F5 N2 O3 | R -3 :H | 24.8585; 24.8585; 16.8633 90; 90; 120 | 9024.5 | Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427 |
| 1516565 | CIF | C52 H70 N O4 P | P 21 21 21 | 13.3371; 19.9237; 34.7236 90; 90; 90 | 9226.9 | Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A. Catalytic enantioselective synthesis of 2-aryl-chromenes Chemical Science, 2014, 5, 2277 |
| 1516566 | CIF | C60 H69 B Cl2 F4 N O4 P Pd | P 21 21 21 | 12.2225; 20.8872; 21.6966 90; 90; 90 | 5539.01 | Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A. Catalytic enantioselective synthesis of 2-aryl-chromenes Chemical Science, 2014, 5, 2277 |
| 1516567 | CIF | C22 H18 N4 O12 Zn2 | P b a n | 16.2647; 14.5206; 9.6475 90; 90; 90 | 2278.48 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516568 | CIF | C22 H18 N4 O12 Zn2 | I 4/m c m | 15.25553; 15.25553; 19.3129 90; 90; 90 | 4494.71 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516569 | CIF | C22 H18 N4 O12 Zn2 | P 4/m m m | 10.94325; 10.94325; 9.67577 90; 90; 90 | 1158.72 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516570 | CIF | C22 H18 N4 O12 Zn2 | P 4/m m m | 10.90313; 10.90313; 9.649 90; 90; 90 | 1147.06 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516571 | CIF | C34 H48 N6 O12 Zn2 | I 4/m c m | 15.0609; 15.0609; 19.2433 90; 90; 90 | 4365 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516572 | CIF | C30 H24 N2 O8 Zn2 | P 4/m b m | 15.4195; 15.4195; 9.6416 90; 90; 90 | 2292.4 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516573 | CIF | C22 H18 Br2 N2 O8 Zn2 | P b a n | 16.3684; 14.4237; 9.6406 90; 90; 90 | 2276.08 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516574 | CIF | C22 H18 I N3 O4 S | P 21 21 21 | 7.7904; 14.7; 19.469 90; 90; 90 | 2229.6 | Tripathi, Chandra Bhushan; Mukherjee, Santanu Catalytic enantioselective iodoaminocyclization of hydrazones. Organic letters, 2014, 16, 3368-3371 |
| 1516575 | CIF | C79 H68 B2 F24 N O P2 Rh Si | P -1 | 16.6243; 16.8939; 17.7667 110.65; 107.187; 106.29 | 4026.5 | Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S. Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+ Catal. Sci. Technol., 2014, 4, 3486 |
| 1516576 | CIF | C89 H77 B F24 O P3 Rh | P -1 | 12.9076; 17.803; 19.959 87.9991; 74.6948; 87.0039 | 4416.68 | Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S. Exploring the mechanism of the hydroboration of alkenes by amine–boranes catalysed by [Rh(xantphos)]+ Catal. Sci. Technol., 2014, 4, 3486 |
| 1516577 | CIF | Bi4 Co0.3 O11 V1.7 | I 4/m m m | 3.929; 3.929; 15.476 90; 90; 90 | 238.9 | Muller, C.; Anne, M.; Bacmann, M.; Bonnet, M. Structural Studies of the Fast Oxygen Ion Conductor BICOVOX.15 by Single-Crystal Neutron Diffraction at Room Temperature Journal of Solid State Chemistry, 1998, 141, 241-247 |
| 1516578 | CIF | Ba2 Cu2.92 O6 Y | P 4/m m m | 3.864; 3.864; 11.782 90; 90; 90 | 175.91 | Odier, Philippe; Gotor, Francisco J.; Pellerin, Nadia; Lobo, Ricardo P.S.M.; Dembinski, Kristof; Ayache, Jeanne; Noel, Henry; Potel, Michel; Chaminade, Jean Pierre; Collin, Gaston Copper deficiency in YBa2Cu3O7-x ceramics, textured and single crystals Materials Science and Engineering B, 1998, 52, 117-122 |
| 1516579 | CIF | C22 H25 N2 O4 S2 | P -1 | 6.6422; 8.0514; 20.8031 89.74; 87.881; 83.068 | 1103.64 | Zhang, Jie; Shao, Ying; Wang, Hongxiang; Luo, Qiang; Chen, Jijun; Xu, Dongmei; Wan, Xiaobing Dual Roles of Sulfonyl Hydrazides: A Three-Component Reaction To Construct Fully Substituted Pyrazoles Using TBAI/TBHP. Organic letters, 2014, 16, 3312-3315 |
| 1516580 | CIF | C24 H12 S2 | P 1 21/c 1 | 12.0564; 12.1122; 12.1107 90; 110.407; 90 | 1657.5 | Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255 |
| 1516581 | CIF | C24 H12 Se4 | P 1 21/c 1 | 12.7769; 20.4663; 16.3532 90; 109.347; 90 | 4034.8 | Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255 |
| 1516582 | CIF | C38 H26 N2 | P 1 21/n 1 | 10.4127; 18.6669; 13.9771 90; 107.068; 90 | 2597.1 | Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255 |
| 1516583 | CIF | C24 H8 O2 | P m m n :2 | 12.3385; 15.6948; 3.8193 90; 90; 90 | 739.61 | Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255 |
| 1516584 | CIF | C24 H12 Se2 | P b c n | 28.5952; 7.5369; 15.6922 90; 90; 90 | 3382 | Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255 |
| 1516585 | CIF | C36 H22 N2 | C 1 2/c 1 | 18.0254; 10.3777; 12.614 90; 101.085; 90 | 2315.6 | Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255 |
| 1516586 | CIF | C34 H45 Br N2 O6 Si | P -1 | 8.0482; 14.1277; 15.3665 99.073; 94.101; 91.448 | 1719.75 | Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine. Organic letters, 2014, 16, 3316-3319 |
| 1516587 | CIF | C22 H19 Br N2 O5 | P 21 21 21 | 9.1581; 12.6857; 16.703 90; 90; 90 | 1940.5 | Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine. Organic letters, 2014, 16, 3316-3319 |
| 1516588 | CIF | C47 H73 N Si Th | P b c a | 10.4251; 20.765; 44.289 90; 90; 90 | 9587.6 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
| 1516589 | CIF | C53 H75 N Si Th | P 1 21/c 1 | 16.578; 16.572; 17.515 90; 97.936; 90 | 4765.8 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
| 1516590 | CIF | C54 H87 N3 Th | P -1 | 10.436; 15.509; 20.314 92.787; 92.25; 109.072 | 3098.4 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
| 1516591 | CIF | C50 H62 Cl2 N8 O6 Zn2 | P -1 | 13.4923; 13.5958; 15.0327 108.107; 104.82; 90.868 | 2520.35 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516592 | CIF | C118 H116 Co4 N16 O13 | P -1 | 11.7828; 14.8129; 17.4408 94.041; 107.638; 95.432 | 2872.13 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516593 | CIF | C50 H62 Cl2 N8 Ni2 O6 | P -1 | 12.0189; 14.7702; 14.7768 107.972; 96.642; 95.331 | 2455.4 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516594 | CIF | C26 H28 N4 O | C 1 2/c 1 | 30.8673; 14.8514; 10.3727 90; 94.543; 90 | 4740.14 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516595 | CIF | C18 H26 O8 | P 1 21 1 | 9.9116; 7.094; 26.0972 90; 94.539; 90 | 1829.21 | Yurchenko, Anton N.; Smetanina, Olga F.; Kalinovsky, Anatoly I.; Pushilin, Michael A.; Glazunov, Valeriy P.; Khudyakova, Yuliya V.; Kirichuk, Natalya N.; Ermakova, Svetlana P.; Dyshlovoy, Sergey A.; Yurchenko, Ekaterina A.; Afiyatullov, Shamil Sh Oxirapentyns F-K from the Marine-Sediment-Derived Fungus Isaria felina KMM 4639. Journal of natural products, 2014, 77, 1321-1328 |
| 1516596 | CIF | C19 H26 O6 | P 21 21 21 | 9.1403; 12.3986; 15.0582 90; 90; 90 | 1706.5 | Chen, Jian-Jun; Chen, Chao-Jun; Yao, Xiao-Jun; Jin, Xiao-Jie; Gao, Kun Eremophilane-Type Sesquiterpenoids with Diverse Skeletons from Ligularia sagitta. Journal of natural products, 2014, 77, 1329-1335 |
| 1516597 | CIF | C30 H25 Br N2 O3 S | P -1 | 10.8564; 14.3921; 18.5751 77.707; 84.454; 69.815 | 2660.74 | Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines Chemical Science, 2014, 5, 4057 |
| 1516598 | CIF | C29 H27 Br N2 O3 S | P 1 21/n 1 | 12.621; 9.6352; 21.5566 90; 94.967; 90 | 2611.6 | Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines Chemical Science, 2014, 5, 4057 |
| 1516599 | CIF | C24 H72 Cl2 In2 N4 Si8 | P -1 | 8.9952; 12.0644; 23.969 80.621; 83.006; 66.929 | 2356.3 | Yamashita, Yasuhiro; Saito, Yuki; Imaizumi, Takaki; Kobayashi, Shū A Lewis acid/metal amide hybrid as an efficient catalyst for carbon‒carbon bond formation Chem. Sci., 2014, 5, 3958 |
| 1516600 | CIF | C33 H31 La O11 | P -1 | 9.1684; 13.5704; 17.837 86.182; 87.019; 84.413 | 2201.5 | Zhan, Chao; Ou, Sha; Zou, Chao; Zhao, Min; Wu, Chuan-De A luminescent mixed-lanthanide-organic framework sensor for decoding different volatile organic molecules. Analytical chemistry, 2014, 86, 6648-6653 |
| 1516601 | CIF | C33 H31 Eu O11 | P -1 | 9.1035; 13.6438; 17.732 87.62; 85.388; 86.422 | 2189.5 | Zhan, Chao; Ou, Sha; Zou, Chao; Zhao, Min; Wu, Chuan-De A luminescent mixed-lanthanide-organic framework sensor for decoding different volatile organic molecules. Analytical chemistry, 2014, 86, 6648-6653 |
| 1516602 | CIF | C33 H31 O11 Tb | P -1 | 9.1308; 13.6503; 17.7229 87.558; 85.382; 86.398 | 2195.86 | Zhan, Chao; Ou, Sha; Zou, Chao; Zhao, Min; Wu, Chuan-De A luminescent mixed-lanthanide-organic framework sensor for decoding different volatile organic molecules. Analytical chemistry, 2014, 86, 6648-6653 |
| 1516603 | CIF | C20 H20 B N O | P 1 21/c 1 | 23.009; 5.4564; 13.699 90; 103.943; 90 | 1669.2 | Brown, Alec N.; Zakharov, Lev N.; Mikulas, Tanya; Dixon, David A.; Liu, Shih-Yuan Rhodium-Catalyzed B-H Activation of 1,2-Azaborines: Synthesis and Characterization of BN Isosteres of Stilbenes. Organic letters, 2014, 16, 3340-3343 |
| 1516604 | CIF | C21 H24 O3 | P 1 21/n 1 | 6.7908; 8.8056; 28.0909 90; 95.65; 90 | 1671.59 | Lee, Jihoon; Panek, James S. Synthesis of Isochromene-Type Scaffolds via Single-Flask Diels-Alder-[4 + 2]-Annulation Sequence of a Silyl-Substituted Diene with Menadione. Organic letters, 2014, 16, 3320-3323 |
| 1516605 | CIF | C25 H36 O5 | I 1 2 1 | 13.9471; 8.2238; 19.675 90; 93.918; 90 | 2251.4 | Williams, Russell B.; Du, Lin; Norman, Vanessa L.; Goering, Matt G.; O'Neil-Johnson, Mark; Woodbury, Scott; Albrecht, Matthew A.; Powell, Douglas R.; Cichewicz, Robert H.; Eldridge, Gary R.; Starks, Courtney M. Diterpenes from the Endangered Goldenrod Solidago shortii. Journal of natural products, 2014, 77, 1438-1444 |
| 1516606 | CIF | C30 H24 | P 1 21/n 1 | 10.58564; 6.27352; 16.626 90; 95.2712; 90 | 1099.45 | Horino, Yoshikazu; Takahashi, Yu; Koketsu, Kaori; Abe, Hitoshi; Tsuge, Kiyoshi Practical and Convenient Synthesis of 1,6-Di- or 1,2,5,6-Tetra-arylhexa-1,3,5-trienes by the Dimerization of Pd(0)-Complexed Alkenylcarbenes Generated from π-Allylpalladium Intermediates. Organic letters, 2014, 16, 3184-3187 |
| 1516607 | CIF | C11 H14 Br N O4 S | P 21 21 21 | 6.8751; 8.4919; 22.997 90; 90; 90 | 1342.6 | Chen, Ya-Jing; Chen, Ya-Heng; Feng, Chen-Guo; Lin, Guo-Qiang Enantioselective Rhodium-Catalyzed Arylation of Cyclic N-Sulfamidate Alkylketimines: A New Access to Chiral β-Alkyl-β-aryl Amino Alcohols. Organic letters, 2014, 16, 3400-3403 |
| 1516608 | CIF | C19 H19 O5 P | P 1 21/n 1 | 10.365; 11.372; 15.121 90; 96.49; 90 | 1770.9 | Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Zhang, Jianye; Wu, Yusheng; Wu, Yangjie Silver-Catalyzed Synthesis of 3-Phosphorated Coumarins via Radical Cyclization of Alkynoates and Dialkyl H-Phosphonates. Organic letters, 2014, 16, 3356-3359 |
| 1516609 | CIF | C28 H18 F10 Ir N6 P | C 1 2/c 1 | 25.778; 15.759; 16.308 90; 105.245; 90 | 6392 | Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes. Faraday discussions, 2014, 174, 165-182 |
| 1516610 | CIF | C36 H24 F10 Ir N6 P | P -1 | 9.1029; 12.8618; 15.38 69.58; 88.64; 71.81 | 1595.8 | Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes. Faraday discussions, 2014, 174, 165-182 |
| 1516611 | CIF | C17 H14 N2 O3 | P b c a | 11.398; 15.357; 16.312 90; 90; 90 | 2855.2 | Griesbeck, Axel G.; Kramer, Wolfgang; Heinrich, Thomas; Lex, Johann Photocyclization of N,N-phthaloylanthranilic amides coupled to ω-amino acids with increasing chain lengths Photochemical & Photobiological Sciences, 2002, 1, 237 |
| 1516612 | CIF | C17 H11 F O2 | P 1 c 1 | 6.879; 3.929; 23.459 90; 90.35; 90 | 634 | Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state Photochemical & Photobiological Sciences, 2002, 1, 799 |
| 1516613 | CIF | C17 H12 O2 | P 1 21/n 1 | 17.057; 8.229; 18.261 90; 96.33; 90 | 2547.5 | Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state Photochemical & Photobiological Sciences, 2002, 1, 799 |
| 1516614 | CIF | C25 H29 N O2 | P 1 21 1 | 8.464; 25.375; 10.154 90; 90.42; 90 | 2180.8 | Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences, 2002, 1, 696-703 |
| 1516615 | CIF | C22 H25 N O2 | P 1 21/n 1 | 14.56; 6.584; 20.801 90; 109.42; 90 | 1880.6 | Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences, 2002, 1, 696-703 |
| 1516616 | CIF | C20 H23 N O2 | P 1 21/n 1 | 9.801; 17.753; 10.068 90; 91.02; 90 | 1751.5 | Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences, 2002, 1, 696-703 |
| 1516617 | CIF | C23 H25 N O2 | P b c a | 17.47; 11.704; 18.731 90; 90; 90 | 3829.9 | Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences, 2002, 1, 696-703 |
| 1516618 | CIF | C35 H42.4 O13.2 | P 21 21 21 | 11.2634; 15.8807; 21.1556 90; 90; 90 | 3784.1 | Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. Journal of natural products, 2014, 77, 1505-1512 |
| 1516619 | CIF | C32 H44 O13 | P 1 21 1 | 11.3186; 15.8687; 20.1536 90; 101.153; 90 | 3551.5 | Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. Journal of natural products, 2014, 77, 1505-1512 |
| 1516620 | CIF | C30 H40 O13 | P 21 21 21 | 12.868; 14.089; 17.366 90; 90; 90 | 3148.4 | Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. Journal of natural products, 2014, 77, 1505-1512 |
| 1516621 | CIF | C33 H44 O13 | P 21 21 21 | 13.373; 14.2814; 17.794 90; 90; 90 | 3398.4 | Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. Journal of natural products, 2014, 77, 1505-1512 |
| 1516622 | CIF | C30 H28 O13 | P 61 2 2 | 21.4292; 21.4292; 21.4162 90; 90; 120 | 8517 | Ren, Yulin; Lantvit, Daniel D.; Deng, Youcai; Kanagasabai, Ragu; Gallucci, Judith C.; Ninh, Tran Ngoc; Chai, Hee-Byung; Soejarto, Djaja D.; Fuchs, James R.; Yalowich, Jack C.; Yu, Jianhua; Swanson, Steven M.; Kinghorn, A. Douglas Potent Cytotoxic Arylnaphthalene Lignan Lactones from Phyllanthus poilanei. Journal of natural products, 2014, 77, 1494-1504 |
| 1516623 | CIF | C15 H6 F19 N O2 | P -1 | 9.777; 10.96; 19.356 96.59; 100.37; 91.1 | 2025.1 | O'Neal, Kristi L; Geib, Steven; Weber, Stephen G. Extraction of pyridines into fluorous solvents based on hydrogen bond complex formation with carboxylic acid receptors. Analytical chemistry, 2007, 79, 3117-3125 |
| 1516624 | CIF | C55.22 H54.8 Cl3.65 N12 O6.79 | P 1 21/c 1 | 12.0326; 13.7368; 18.1386 90; 94.679; 90 | 2988.13 | Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids. The journal of physical chemistry. A, 2014, 118, 4415-4424 |
| 1516625 | CIF | C64 H56 Cl6 N14 O4 | P -1 | 8.1267; 12.3186; 15.8366 93.4245; 100.543; 92.7206 | 1553.09 | Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids. The journal of physical chemistry. A, 2014, 118, 4415-4424 |
| 1516626 | CIF | C36 H38 N8 | P 1 21/n 1 | 15.3095; 5.0915; 20.1111 90; 109.532; 90 | 1477.41 | Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids. The journal of physical chemistry. A, 2014, 118, 4415-4424 |
| 1516627 | CIF | C16 H14 Cl2 | P 21 21 21 | 5.6849; 7.6858; 32.425 90; 90; 90 | 1416.7 | Srinivas, Harathi D.; Zhou, Qi; Watson, Mary P. Enantiospecific, nickel-catalyzed cross-couplings of allylic pivalates and arylboroxines. Organic letters, 2014, 16, 3596-3599 |
| 1516628 | CIF | C10 H15 N O4 S | P 21 21 21 | 6.5056; 8.2425; 21.78 90; 90; 90 | 1167.9 | Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T. n→ π* Interactions Engender Chirality in Carbonyl Groups. Organic letters, 2014, 16, 3421-3423 |
| 1516629 | CIF | C10 H15 N O4 S | P 21 21 21 | 8.4606; 9.8014; 14.3985 90; 90; 90 | 1194.01 | Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T. n→ π* Interactions Engender Chirality in Carbonyl Groups. Organic letters, 2014, 16, 3421-3423 |
| 1516630 | CIF | C8 H13 N O3 S | P 21 21 21 | 7.9045; 10.8117; 11.4208 90; 90; 90 | 976.03 | Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T. n→ π* Interactions Engender Chirality in Carbonyl Groups. Organic letters, 2014, 16, 3421-3423 |
| 1516631 | CIF | C9 H15 N O3 S | P 1 21 1 | 6.3034; 6.8102; 12.5634 90; 99.245; 90 | 532.31 | Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T. n→ π* Interactions Engender Chirality in Carbonyl Groups. Organic letters, 2014, 16, 3421-3423 |
| 1516632 | CIF | C8 H13 N O3 S | P 21 21 21 | 6.4374; 11.8996; 12.6886 90; 90; 90 | 971.98 | Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T. n→ π* Interactions Engender Chirality in Carbonyl Groups. Organic letters, 2014, 16, 3421-3423 |
| 1516633 | CIF | C9 H15 N O3 S | C 1 2 1 | 14.493; 6.393; 11.849 90; 96.568; 90 | 1090.6 | Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T. n→ π* Interactions Engender Chirality in Carbonyl Groups. Organic letters, 2014, 16, 3421-3423 |
| 1516634 | CIF | C16 H14 O4 | P 21 21 21 | 8.7505; 9.3028; 15.4206 90; 90; 90 | 1255.3 | Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei Correction to Asymmetric Diels-Alder Reaction of 3-Olefinic Benzofuran-2-ones and Polyenals: Construction of Chiral Spirocyclic Benzofuran-2-ones. Organic letters, 2014, 16, 3847 |
| 1516636 | CIF | C19 H14 | P 1 21/c 1 | 7.5875; 11.1085; 14.9042 90; 92.772; 90 | 1254.74 | Wolstenholme, David J.; Matta, Chérif F; Cameron, T. Stanley Experimental and theoretical electron density study of a highly twisted polycyclic aromatic hydrocarbon: 4-methyl-[4]helicene. The journal of physical chemistry. A, 2007, 111, 8803-8813 |
| 1516637 | CIF | C5 H5 Br2 N | P c a 21 | 14.273; 4.6009; 10.7534 90; 90; 90 | 706.16 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516638 | CIF | C5 H5 Br Cl N | P c a 21 | 14.274; 4.4396; 10.581 90; 90; 90 | 670.5 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516639 | CIF | C5 H5 Br I N | P c a 21 | 14.2891; 4.8298; 10.9546 90; 90; 90 | 756.02 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516641 | CIF | C5 H5 Cl I N | P 1 21/m 1 | 6.9272; 6.6251; 8.512 90; 103.19; 90 | 380.34 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516642 | CIF | C5 H5 Br Cl N | P -1 | 4.7691; 7.7441; 9.1529 84.26; 76.91; 86.06 | 327.23 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516643 | CIF | C5 H5 Br I N | P 1 21/c 1 | 4.805; 14.391; 11.121 90; 94.69; 90 | 766.4 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516644 | CIF | C5 H5 Br Cl N | P -1 | 4.9079; 7.8016; 9.2523 83.626; 77.592; 86.92 | 343.69 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516645 | CIF | C5 H5 Cl I N | P -1 | 5.1279; 8.224; 9.276 83.82; 74.66; 86.82 | 374.9 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516646 | CIF | C5 H5 Br Cl N | P 1 21/m 1 | 4.3924; 8.1794; 9.4338 90; 95.83; 90 | 337.18 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516647 | CIF | C5 H5 Br I N | P -1 | 4.981; 8.5067; 9.4529 80.18; 79.48; 88.909 | 388 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516648 | CIF | C5 H5 Br Cl N | P 1 21/m 1 | 4.6993; 8.1822; 9.1028 90; 100.045; 90 | 344.64 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516649 | CIF | C5 H5 Cl I N | P -1 | 5.09; 8.5759; 9.1018 83.513; 76.39; 89.059 | 383.66 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
| 1516650 | CIF | C51 H68 O5 | P 1 21/c 1 | 12.8482; 18.7165; 19.2753 90; 108.773; 90 | 4388.6 | Yang, Yong; Swager, Timothy M. Main-Chain Calix[4]arene Elastomers by Ring-Opening Metathesis Polymerization Macromolecules, 2007, 40, 7437 |
| 1516651 | CIF | C86.5 H118 O4 | P -1 | 14.9565; 15.7696; 17.7243 82.483; 88.559; 65.016 | 3754.6 | Yang, Yong; Swager, Timothy M. Main-Chain Calix[4]arene Elastomers by Ring-Opening Metathesis Polymerization Macromolecules, 2007, 40, 7437 |
| 1516653 | CIF | C24 H33 N O6 | P 1 21 1 | 13.576; 8.049; 10.772 90; 109.89; 90 | 1106.9 | Li, Chun-Shun; Di, Ying-Tong; He, Hong-Ping; Gao, Suo; Wang, Yue-Hu; Lu, Yang; Zhong, Jia-Liang; Hao, Xiao-Jiang Daphlongeranines A and B, two novel alkaloids possessing unprecedented skeletons from Daphniphyllum longeracemosum. Organic letters, 2007, 9, 2509-2512 |
| 1516654 | CIF | C19 H34 F6 N2 O10 S2 Zn | P 21 21 21 | 9.332; 12.2796; 25.7432 90; 90; 90 | 2950 | Monge, David; Martín-Zamora, Eloísa; Vazquez, Juan; Alcarazo, Manuel; Alvarez, Eleuterio; Fernandez, Rosario; Lassaletta, José M Enantioselective conjugate addition of N,N-dialkylhydrazones to alpha-hydroxy enones. Organic letters, 2007, 9, 2867-2870 |
| 1516655 | CIF | C53 H35 Cl3 N4 O2 | P -1 | 11.9304; 13.1965; 14.3418 85.259; 78.176; 79.079 | 2167.77 | Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes. Organic letters, 2007, 9, 235-238 |
| 1516656 | CIF | C40 H26 N4 O2 | P 1 2/n 1 | 14.9947; 7.2016; 15.2457 90; 113.94; 90 | 1504.69 | Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes. Organic letters, 2007, 9, 235-238 |
| 1516657 | CIF | C28 H18 N4 O2 | P b c n | 11.3862; 10.0904; 18.8335 90; 90; 90 | 2163.81 | Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes. Organic letters, 2007, 9, 235-238 |
| 1516658 | CIF | C53 H33 Cl3 N6 O2 | P 1 2/c 1 | 11.0052; 13.4251; 14.8416 90; 102.384; 90 | 2141.76 | Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes. Organic letters, 2007, 9, 235-238 |
| 1516659 | CIF | C18 H17 N O2 | P 1 21/c 1 | 12.063; 11.771; 11.209 90; 106.55; 90 | 1525.7 | Yang, Luo; Deng, Gang; Wang, De-Xian; Huang, Zhi-Tang; Zhu, Jie-Ping; Wang, Mei-Xiang Highly efficient and stereoselective N-vinylation of oxiranecarboxamides and unprecedented 8-endo-epoxy-arene cyclization: expedient and biomimetic synthesis of some Clausena alkaloids. Organic letters, 2007, 9, 1387-1390 |
| 1516660 | CIF | C28 H27 N O3 S | P 1 21/c 1 | 11.1671; 16.1513; 13.1889 90; 95.155; 90 | 2369.2 | Tsuchikama, Kyoji; Kuwata, Yusuke; Tahara, Yu-ki; Yoshinami, Yusuke; Shibata, Takanori Rh-catalyzed cyclization of diynes and enynes initiated by carbonyl-directed activation of aromatic and vinylic C-H bonds. Organic letters, 2007, 9, 3097-3099 |
| 1516661 | CIF | C18 H21 N O3 | P 1 21/c 1 | 9.6928; 10.3932; 15.2434 90; 100.477; 90 | 1510.01 | Su, Shun; Porco, Jr, John A 1,2-dihydroisoquinolines as templates for cascade reactions to access isoquinoline alkaloid frameworks. Organic letters, 2007, 9, 4983-4986 |
| 1516662 | CIF | C32 H44 O11 | P 1 21 1 | 8.2919; 18.2388; 10.7413 90; 106.478; 90 | 1557.7 | Yin, Sheng; Wang, Xiao-Ning; Fan, Cheng-Qi; Liao, Shang-Gao; Yue, Jian-Min The first limonoid peroxide in the Meliaceae family: walsuronoid A from Walsura robusta. Organic letters, 2007, 9, 2353-2356 |
| 1516663 | CIF | C13 H16 O3 S | P 1 21 1 | 16.0338; 5.4918; 16.9616 90; 117.095; 90 | 1329.6 | Jung, Jae Hoon; Kim, Yong Wook; Kim, Min Ah; Choi, Soo Young; Chung, Young Keun; Kim, Tae-Rae; Shin, Seokmin; Lee, Eun Efficient chirality transfer in the SmI2-mediated cyclization of aldehydo beta-alkoxyvinyl sulfoxides: asymmetric synthesis of 3-hydroxyoxanes. Organic letters, 2007, 9, 3225-3228 |
| 1516664 | CIF | C22 H17 N | C 1 2/c 1 | 16.4531; 12.9636; 15.6226 90; 102.578; 90 | 3252.2 | Han, Wenjia; Zhang, Guoying; Li, Guangxing; Huang, Hanmin Rh-catalyzed sequential oxidative C-h and N-N bond activation: conversion of azines into isoquinolines with air at room temperature. Organic letters, 2014, 16, 3532-3535 |
| 1516665 | CIF | C30 H36 O4 | P 1 21 1 | 10.7866; 7.7855; 14.9348 90; 99.41; 90 | 1237.33 | Tian, Wen-Jing; Yu, Yang; Yao, Xiao-Jun; Chen, Hai-Feng; Dai, Yi; Zhang, Xiao-Kun; Yao, Xin-Sheng Norsampsones A-D, Four New Decarbonyl Polycyclic Polyprenylated Acylphloroglucinols from Hypericum sampsonii. Organic letters, 2014, 16, 3448-3451 |
| 1516666 | CIF | C5 I O5 Re | C m c m | 7.6549; 11.1028; 10.9893 90; 90; 90 | 933.99 | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions Chemical Science, 2014, 5, 3576 |
| 1516667 | CIF | C5 Br Mn O5 | P n m a | 11.7723; 11.5071; 6.1089 90; 90; 90 | 827.54 | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions Chemical Science, 2014, 5, 3576 |
| 1516668 | CIF | C28 H19 N5 O6 Re2 | P 1 21/n 1 | 12.6739; 11.2202; 19.9289 90; 104.719; 90 | 2741 | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions Chemical Science, 2014, 5, 3576 |
| 1516669 | CIF | C40 H50 S Si2 | P -1 | 8.3989; 12.4017; 17.7936 88.626; 88.89; 81.912 | 1834.2 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516670 | CIF | C42 H50 S2 Si2 | P -1 | 7.4177; 14.5332; 18.922 73.889; 84.135; 78.229 | 1916.3 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516671 | CIF | C34 H38 S Si2 | P -1 | 7.0866; 16.2124; 26.849 85.812; 84.502; 77.978 | 2998.7 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516672 | CIF | C44 H50 S3 Si2 | P -1 | 7.5217; 14.0563; 20.336 73.188; 81.718; 82.685 | 2028.4 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516673 | CIF | C18 H8 O2 S | P c a 21 | 15.913; 11.398; 6.921 90; 90; 90 | 1255.3 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516674 | CIF | C20 H8 O2 S2 | P 1 21/c 1 | 12.983; 3.9148; 14.969 90; 111.93; 90 | 705.8 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516675 | CIF | C28 H33 Fe N4 O3 S | P 1 21/c 1 | 27.927; 8.0895; 38.227 90; 98.822; 90 | 8534 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516676 | CIF | C31 H39 Fe N4 O2 S | P 1 21/c 1 | 16.745; 8.1442; 22.278 90; 93.72; 90 | 3031.8 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516677 | CIF | C27 H30 Cl Fe N4 O2 S | P 1 21/n 1 | 12.028; 14.71; 16.167 90; 104.944; 90 | 2763.7 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516678 | CIF | C27 H30 Fe N5 O4 S | P 1 21/c 1 | 15.596; 7.9152; 23.348 90; 107.772; 90 | 2744.7 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516679 | CIF | C70 H98 Mg O13 Zn2 | P 43 21 2 | 12.1808; 12.1808; 44.474 90; 90; 90 | 6598.7 | Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva Structural and reactivity insights in Mg–Zn hybrid chemistry: Zn–I exchange and Pd-catalysed cross-coupling applications of aromatic substrates Chemical Science, 2014, 5, 3552 |
| 1516680 | CIF | C34 H48 Cl I Mg N2 O5 Zn | P 1 21/c 1 | 16.1212; 9.5045; 24.1563 90; 98.132; 90 | 3664.1 | Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates Chemical Science, 2014, 5, 3552 |
| 1516681 | CIF | C91.81 H109.81 Cl6.44 Cu F N4 O10 | P -1 | 17.7109; 28.5979; 31.0744 67.271; 79.167; 84.672 | 14254.5 | Brugnara, Andrea; Topić, Filip; Rissanen, Kari; Lande, Aurélien de la; Colasson, Benoit; Reinaud, Olivia Selective recognition of fluoride anion in water by a copper(ii) center embedded in a hydrophobic cavity Chemical Science, 2014, 5, 3897 |
| 1516682 | CIF | C42 H28 | P -1 | 14.2395; 6.7738; 11.281 81.264; 100.378; 101.773 | 1040.3 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
| 1516683 | CIF | C42 H28 | P -1 | 6.6779; 7.9256; 11.3415 89.367; 104.46; 96.321 | 577.63 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
| 1516684 | CIF | C42 H28 | P -1 | 7.0883; 8.5994; 12.0059 93.486; 105.642; 95.977 | 697.86 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
| 1516685 | CIF | C42 H28 | P -1 | 6.635; 7.7995; 11.2182 88.437; 104.348; 96.316 | 559.02 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
| 1516686 | CIF | C42 H28 | P -1 | 6.8535; 8.2642; 11.6573 91.614; 104.921; 96.311 | 633.03 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
| 1516687 | CIF | C42 H28 | P -1 | 6.7392; 8.0591; 11.4641 90.271; 104.627; 96.329 | 598.44 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
| 1516688 | CIF | C42 H28 | P -1 | 7.0478; 8.5495; 11.9485 93.201; 105.501; 96.079 | 687.2 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
| 1516689 | CIF | C42 H28 | P -1 | 6.6162; 7.6757; 11.1002 87.399; 104.322; 96.289 | 542.81 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
| 1516690 | CIF | C60 H52 N2 S4 | P 1 21/c 1 | 12.86; 26.508; 15.338 90; 110.628; 90 | 4893 | Karthik, Ganesan; Srinivasan, A.; Chandrashekar, Tavarekere K. meso-Aryl Core-Modified Fused Sapphyrins: Syntheses and Structural Diversity. Organic letters, 2014, 16, 3472-3475 |
| 1516691 | CIF | C18 H19 N O2 | P -1 | 10.9901; 11.6965; 13.3134 66.633; 67.953; 82.977 | 1455.43 | Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. Experimental Study of the Cooperativity of CH-π Interactions. Organic letters, 2014, 16, 3520-3523 |
| 1516692 | CIF | C42 H31 N O3 | P -1 | 10.1567; 12.264; 13.09 76.602; 73.82; 74.329 | 1486 | Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. Experimental Study of the Cooperativity of CH-π Interactions. Organic letters, 2014, 16, 3520-3523 |
| 1516693 | CIF | C43 H32 N2 O3 | P 1 21/n 1 | 10.6344; 13.5264; 22.2337 90; 94.961; 90 | 3186.2 | Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. Experimental Study of the Cooperativity of CH-π Interactions. Organic letters, 2014, 16, 3520-3523 |
| 1516694 | CIF | C43 H29 Cl2 N O3 | P 1 21/c 1 | 16.9467; 12.1612; 31.646 90; 97.377; 90 | 6468 | Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. Experimental Study of the Cooperativity of CH-π Interactions. Organic letters, 2014, 16, 3520-3523 |
| 1516695 | CIF | C19 H23 Cl N2 O4 | P -1 | 7.662; 11.01; 11.473 90.434; 106.459; 103.436 | 900 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
| 1516696 | CIF | C26 H27 Cl N2 O6 | P -1 | 7.91; 11.892; 13.602 76.675; 77.828; 72.459 | 1173.3 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
| 1516697 | CIF | C23 H27 Cl N2 O4 | C 1 2/c 1 | 30.833; 7.2235; 22.094 90; 119.936; 90 | 4264.3 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
| 1516698 | CIF | C25 H30 Cl N3 O4 | P 1 21/n 1 | 8.0856; 12.518; 22.631 90; 95.377; 90 | 2280.5 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
| 1516699 | CIF | C23 H25 Cl N2 O4 | P 1 21/n 1 | 11.101; 16.452; 12.347 90; 108.375; 90 | 2140 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
| 1516700 | CIF | C28.5 H33 Cl2 N2 O4 S | P -1 | 9.77; 12.728; 13.24 99.575; 111.36; 105.87 | 1408.4 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
| 1516701 | CIF | C31.5 H29 Cl N2 O5.125 S | P -1 | 8.027; 11.283; 17.69 92.665; 102.552; 99.03 | 1539 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
| 1516702 | CIF | C16 H17 N O4 | C 1 2/c 1 | 10.4651; 12.0555; 22.0874 90; 91.79; 90 | 2785.23 | Mukhina, Olga A.; Cronk, W. Cole; Kumar, N. N. Bhuvan; Sekhar, M. Chandra; Samanta, Anunay; Kutateladze, Andrei G. Intramolecular cycloadditions of photogenerated azaxylylenes: an experimental and theoretical study. The journal of physical chemistry. A, 2014, 118, 10487-10496 |
| 1516703 | CIF | C16 H12 N2 O3 | P 1 21/n 1 | 9.8869; 8.4979; 17.1534 90; 103.026; 90 | 1404.1 | Zheng, Jing; Zhang, Yan; Cui, Sunliang Rh(III)-Catalyzed Selective Coupling of N-Methoxy-1H-indole-1-carboxamides and Aryl Boronic Acids. Organic letters, 2014, 16, 3560-3563 |
| 1516704 | CIF | C17 H22 Cl3 N O3 | P -1 | 7.1463; 10.177; 13.3296 99.67; 92.942; 99.295 | 940.04 | Manikandan, Rajendran; Jeganmohan, Masilamani Ruthenium-catalyzed cyclization of anilides with substituted propiolates or acrylates: an efficient route to 2-quinolinones. Organic letters, 2014, 16, 3568-3571 |
| 1516705 | CIF | C22 H21 N O2 | P 21 21 21 | 5.9003; 14.002; 21.7297 90; 90; 90 | 1795.22 | Yu, Yuanyuan; Wang, Chunyu; He, Xinze; Yao, Xiaotong; Zu, Liansuo Efficient Assembly of Polysubstituted Pyrroles via a (3 + 2) Cycloaddition/Skeletal Rearrangement/Redox Isomerization Cascade Reaction. Organic letters, 2014, 16, 3580-3583 |
| 1516706 | CIF | C25 H41 N3 O5 Si2 | P 1 21/c 1 | 10.7784; 30.335; 10.6785 90; 115.168; 90 | 3160 | Liu, Yang; Jin, Shiyu; Wang, Zi; Song, Linhua; Hu, Youhong Microwave Assisted Tandem Heck-Sonogashira Reactions of N,N-Di-Boc-Protected 6-Amino-5-iodo-2-methyl Pyrimidin-4-ol in An Efficient Approach to Functionalized Pyrido[2,3-d]Pyrimidines. Organic letters, 2014, 16, 3524-3527 |
| 1516707 | CIF | C30 H21 N | P -1 | 11.0471; 12.0602; 16.587 79.775; 77.726; 86.565 | 2124.5 | Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation. Organic letters, 2014, 16, 3592-3595 |
| 1516708 | CIF | C31 H23 N O | P -1 | 10.6667; 12.2374; 18.702 73.907; 82.088; 76.905 | 2277.2 | Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation. Organic letters, 2014, 16, 3592-3595 |
| 1516709 | CIF | C30 H22 O2 | P n a 21 | 7.5251; 13.3225; 21.8161 90; 90; 90 | 2187.1 | Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation. Organic letters, 2014, 16, 3592-3595 |
| 1516710 | CIF | C23 H16 O4 | P -1 | 6.737; 10.853; 12.232 80.759; 86.793; 73.199 | 845 | Bhojgude, Sachin Suresh; Thangaraj, Manikandan; Suresh, Eringathodi; Biju, Akkattu T. Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes. Organic letters, 2014, 16, 3576-3579 |
| 1516711 | CIF | C24 H22 O | P n a 21 | 7.9519; 12.792; 17.476 90; 90; 90 | 1777.7 | Bhojgude, Sachin Suresh; Thangaraj, Manikandan; Suresh, Eringathodi; Biju, Akkattu T. Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes. Organic letters, 2014, 16, 3576-3579 |
| 1516712 | CIF | C28 H27 N O3 S | P 1 21/n 1 | 12.055; 8.557; 23.454 90; 90.843; 90 | 2419.1 | Feng, Xin; Wang, Huiqing; Yang, Bo; Fan, Renhua One-Pot Synthesis of Highly Substituted 4-Acetonylindoles via Sequential Dearomatization and Silver-Catalyzed Domino Reaction. Organic letters, 2014, 16, 3600-3603 |
| 1516713 | CIF | C21 H22 N2 O6 | P 1 21/c 1 | 8.762; 27.035; 8.561 90; 99.436; 90 | 2000.5 | Li, Deng Yuan; Mao, Xiao Feng; Chen, Hao Jie; Chen, Guo Rong; Liu, Pei Nian Rhodium-Catalyzed Addition-Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C-N Bond Cleavage. Organic letters, 2014, 16, 3476-3479 |
| 1516714 | CIF | C19 H15 Cl N2 O4 | P -1 | 8.9238; 10.559; 11.636 63.623; 88.104; 66.937 | 890.5 | Li, Deng Yuan; Mao, Xiao Feng; Chen, Hao Jie; Chen, Guo Rong; Liu, Pei Nian Rhodium-Catalyzed Addition-Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C-N Bond Cleavage. Organic letters, 2014, 16, 3476-3479 |
| 1516715 | CIF | C21 H22 N2 O6 | P -1 | 9.0549; 10.608; 11.805 71.659; 87.306; 73.948 | 1033.4 | Li, Deng Yuan; Mao, Xiao Feng; Chen, Hao Jie; Chen, Guo Rong; Liu, Pei Nian Rhodium-Catalyzed Addition-Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C-N Bond Cleavage. Organic letters, 2014, 16, 3476-3479 |
| 1516716 | CIF | C68 H44 Ir2 N8 O9 Y | P -1 | 9.059; 15.197; 23.751 73.595; 88.406; 81.684 | 3103 | Li, Lina; Zhang, Shuquan; Xu, Liangjin; Wang, Jinyun; Shi, Lin-Xi; Chen, Zhong-Ning; Hong, Maochun; Luo, Junhua Effective visible-light driven CO2photoreduction via a promising bifunctional iridium coordination polymer Chemical Science, 2014, 5, 3808 |
| 1516717 | CIF | C30 H24 N2 O | P 1 21/n 1 | 11.0962; 21.8; 19.774 90; 105.379; 90 | 4612 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516718 | CIF | C33 H28 N2 O2 | P b c a | 12.859; 15.737; 25.688 90; 90; 90 | 5198 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516719 | CIF | C29 H20.6667 N2 O0.3333 | P 1 21/n 1 | 19.548; 18.292; 21.819 90; 108.996; 90 | 7377 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516720 | CIF | C33 H28 N2 O2 | P b c a | 12.852; 15.692; 25.641 90; 90; 90 | 5171 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516721 | CIF | C19 H17 N3 O2 | P 1 21/n 1 | 16.482; 4.96; 18.568 90; 91.72; 90 | 1517.3 | Johnston, Priscilla; Nishikami, Yuki; Saito, Kei Synthesis of thyminyl stilbazoles and their photo-reactivity. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1290-1296 |
| 1516722 | CIF | C19 H17 N3 O2 | P -1 | 4.87; 10.62; 15.26 100.47; 94.59; 93.98 | 770.8 | Johnston, Priscilla; Nishikami, Yuki; Saito, Kei Synthesis of thyminyl stilbazoles and their photo-reactivity. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1290-1296 |
| 1516723 | CIF | C20 H19 N3 O2 | P 1 21/c 1 | 13.101; 14.414; 8.998 90; 103.68; 90 | 1651 | Johnston, Priscilla; Nishikami, Yuki; Saito, Kei Synthesis of thyminyl stilbazoles and their photo-reactivity. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1290-1296 |
| 1516724 | CIF | C20 H19 N3 O2 | C 1 2/c 1 | 30.165; 4.4; 24.6 90; 93.83; 90 | 3257.8 | Johnston, Priscilla; Nishikami, Yuki; Saito, Kei Synthesis of thyminyl stilbazoles and their photo-reactivity. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1290-1296 |
| 1516725 | CIF | C40 H38 N6 O4 | P 1 21/n 1 | 8.188; 12.063; 17.14 90; 103.02; 90 | 1649.4 | Johnston, Priscilla; Nishikami, Yuki; Saito, Kei Synthesis of thyminyl stilbazoles and their photo-reactivity. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1290-1296 |
| 1516726 | CIF | C26 H23 N O2 | P 21 21 21 | 9.115; 10.756; 19.937 90; 90; 90 | 1954.6 | Marsh, Barrie J.; Adams, Harry; Barker, Mike D.; Kutama, Ibrahim U.; Jones, Simon Enantioselective Catalytic Desymmetrization of Maleimides by Temporary Removal of an Internal Mirror Plane and Stereoablative Over-reduction: Synthesis of (R)-Pyrrolam A. Organic letters, 2014, 16, 3780 |
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