Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1570323 | CIF | C47 H58 Cl4 F6 Ge N2 O6 P2 S2 | P 1 21/c 1 | 11.282; 30.08; 15.527 90; 102.04; 90 | 5153 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570324 | CIF | C49 H36 F4 Ge O3 P2 S | P 1 21/c 1 | 10.046; 18.494; 23.535 90; 97.484; 90 | 4335 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570325 | CIF | C50 H42 Ge P2 | P 1 21/n 1 | 12.221; 18.49; 16.895 90; 93.001; 90 | 3812.5 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570326 | CIF | C55 H49 F3 Ge O4 P2 S | P 1 21/n 1 | 12.192; 21.924; 18.159 90; 103.59; 90 | 4718 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570327 | CIF | C58 H53 Cl4 F6 Ge O7 P3 S2 | C 1 2/c 1 | 47.155; 13.05; 19.811 90; 100.229; 90 | 11997 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570328 | CIF | C13 H10 F N O6 S | P 1 21 1 | 6.7822; 15.6869; 6.8577 90; 108.443; 90 | 692.13 | Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan <i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination. Chemical science, 2023, 14, 13574-13580 |
| 1570329 | CIF | C7 H6 Br F O3 | P 21 21 21 | 6.4447; 9.8276; 12.3314 90; 90; 90 | 781.02 | Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan <i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination. Chemical science, 2023, 14, 13574-13580 |
| 1570330 | CIF | C8 H10 Br F O2 | P 1 21/c 1 | 8.6997; 15.8634; 6.6702 90; 102.677; 90 | 898.09 | Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan <i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination. Chemical science, 2023, 14, 13574-13580 |
| 1570331 | CIF | C26 H33 I N2 O10 | P 21 21 21 | 7.0038; 15.9234; 28.8087 90; 90; 90 | 3212.87 | Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan <i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination. Chemical science, 2023, 14, 13574-13580 |
| 1570332 | CIF | Na1.96 O6 Ti2.6 | I m m 2 | 3.805; 16.987; 3.023 90; 90; 90 | 195.393 | Ma, Xuanao; Liu, Yang; Zhang, Yunhuai; Gong, Yun Layered sodium titanate with a matched lattice: a single ion conductor in a solid-state sodium metal battery. Chemical science, 2023, 14, 13812-13824 |
| 1570333 | CIF | C9 H11 B F2 | C 1 2/c 1 | 12.7357; 9.9509; 6.8757 90; 104.845; 90 | 842.28 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570334 | CIF | C10 H7 B F2 | P 1 21/c 1 | 7.7689; 15.8453; 6.9825 90; 106.825; 90 | 822.76 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570335 | CIF | C8 H8 B2 F4 | P 1 21/n 1 | 6.5423; 4.7676; 14.5152 90; 102.811; 90 | 441.47 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570336 | CIF | C11 H15 B F2 | P -1 | 6.0599; 9.1583; 10.5791 66.23; 84.512; 72.336 | 511.75 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570337 | CIF | C12 H9 B F2 | P 1 2/n 1 | 8.6301; 8.5219; 13.3072 90; 99.458; 90 | 965.37 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570338 | CIF | C21 H20 B F | P -1 | 8.3362; 8.4445; 12.8453 87.107; 82.251; 65.001 | 812.03 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570339 | CIF | C14 H9 B F2 | P 1 21/c 1 | 6.0446; 6.0112; 14.2458 90; 94.653; 90 | 515.92 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570340 | CIF | C8 H5 B F2 S | P b c a | 10.7719; 7.1215; 20.5604 90; 90; 90 | 1577.23 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570341 | CIF | C31 H29 B | P 1 21/c 1 | 18.0452; 7.7356; 17.4913 90; 102.054; 90 | 2387.78 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570342 | CIF | C8 H11 B Br3 N | P 21 21 21 | 9.2702; 10.5154; 12.0275 90; 90; 90 | 1172.44 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570343 | CIF | C30 H33 B | P -1 | 10.1157; 10.318; 12.9562 91.817; 104.952; 109.094 | 1224.6 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570344 | CIF | C11 H19 B Br3 N Si | P b c a | 14.178; 12.384; 19.5169 90; 90; 90 | 3426.78 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570345 | CIF | C20 H26 B F | C 1 c 1 | 8.6399; 25.3455; 8.6121 90; 114.716; 90 | 1713.14 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570346 | CIF | C55 H50.5 B2 F0.5 Fe | P 1 21/c 1 | 31.0228; 7.557; 18.3028 90; 97.668; 90 | 4252.5 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570347 | CIF | C28 H44 Cl2 Ga N5 | P 1 21/n 1 | 12.1606; 15.186; 16.3042 90; 90.497; 90 | 3010.8 | Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A. Group 13 ion coordination to pyridyl breaks the reduction potential <i>vs.</i> hydricity scaling relationship for dihydropyridinates. Chemical science, 2023, 14, 13944-13950 |
| 1570348 | CIF | C25 H38 Cl2 Ga N5 | P 1 21/c 1 | 13.1613; 13.2286; 15.7223 90; 93.54; 90 | 2732.1 | Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A. Group 13 ion coordination to pyridyl breaks the reduction potential <i>vs.</i> hydricity scaling relationship for dihydropyridinates. Chemical science, 2023, 14, 13944-13950 |
| 1570350 | CIF | C32 H52 Cl2 N8 Ni2 O9 | P 1 21/n 1 | 10.2398; 15.3856; 12.1399 90; 102.111; 90 | 1870.02 | Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun Improving the potential of paraCEST through magnetic-coupling induced line sharpening. Chemical science, 2023, 14, 14157-14165 |
| 1570351 | CIF | C38 H62 N8 Ni2 O13 | C 1 2/c 1 | 15.3815; 18.3733; 16.725 90; 111.493; 90 | 4398 | Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun Improving the potential of paraCEST through magnetic-coupling induced line sharpening. Chemical science, 2023, 14, 14157-14165 |
| 1570352 | CIF | C33 H48 Br Ga N8 Ni O7 | C 1 2/c 1 | 29.4737; 14.7532; 20.5922 90; 103.741; 90 | 8697.9 | Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun Improving the potential of paraCEST through magnetic-coupling induced line sharpening. Chemical science, 2023, 14, 14157-14165 |
| 1570353 | CIF | C82 H48 B2 F24 N2 P4 W | P 1 21/n 1 | 13.6255; 28.1927; 22.8261 90; 101.761; 90 | 8584.3 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570354 | CIF | C60 H59 B2 F24 N4 P4 W | P 1 21/n 1 | 12.833; 24.785; 19.899 90; 91.015; 90 | 6328 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570355 | CIF | C54 H51 B2 F27 N5 O P4 W | P 1 21/n 1 | 15.1504; 23.4318; 19.2226 90; 93.953; 90 | 6807.8 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570356 | CIF | C38 H50 B F15 N2 P4 W | P 1 21/c 1 | 10.9692; 20.0639; 20.4791 90; 101.51; 90 | 4416.5 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570357 | CIF | C50 H50 B2 F24 N2 P4 W | P 1 21/c 1 | 20.1462; 11.8225; 22.9963 90; 92.163; 90 | 5473.3 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570358 | CIF | C19 H22 F3 N O4 | P 21 21 21 | 9.15002; 14.0725; 14.39225 90; 90; 90 | 1853.2 | Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D. Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters. Chemical science, 2023, 14, 14146-14156 |
| 1570359 | CIF | C23 H21 Cl F2 N2 O5 | P 21 21 21 | 9.32874; 14.9932; 16.18409 90; 90; 90 | 2263.63 | Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D. Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters. Chemical science, 2023, 14, 14146-14156 |
| 1570360 | CIF | C23 H22 F3 N O4 | P 21 21 21 | 9.9425; 18.8834; 22.242 90; 90; 90 | 4175.9 | Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D. Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters. Chemical science, 2023, 14, 14146-14156 |
| 1570361 | CIF | C52 H36 F6 N4 O Pt2 S | P 1 21/c 1 | 8.8576; 32.2146; 31.0202 90; 92.363; 90 | 8843.9 | Hashimoto, Yoshihisa; Katagiri, Yuri; Tanaka, Yuya; Yoshizawa, Michito Solution-state mechanochromic luminescence of Pt(ii)-complexes displayed within micellar aromatic capsules. Chemical science, 2023, 14, 14211-14216 |
| 1570368 | CIF | C34 H29 N3 O6 | P b c a | 36.1; 19.23; 7.97 90; 90; 90 | 5533 | Mathew, Renny; Mazumder, Aniruddha; Kumar, Praveen; Matula, Julie; Mohamed, Sharmarke; Brazda, Petr; Hariharan, Mahesh; Thomas, Brijith Unveiling the topology of partially disordered micro-crystalline nitro-perylenediimide with X-aggregate stacking: an integrated approach. Chemical science, 2024, 15, 490-499 |
| 1570370 | CIF | C32 H53 B O2 Sn | P 1 21 1 | 10.8925; 19.7704; 15.6033 90; 109.867; 90 | 3160.17 | Binayeva, Meruyert; Ma, Xinghua; Ghaemimohammadi, Pejman; Biscoe, Mark R. A general approach to stereospecific Pd-catalyzed cross-coupling reactions of benzylic stereocenters. Chemical science, 2023, 14, 14124-14130 |
| 1570371 | CIF | C16 H18 Mn N8 O6 S2 | A 1 n 1 | 14.3651; 14.91024; 13.24655 90; 117.406; 90 | 2518.81 | Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry. Chemical science, 2023, 14, 14176-14181 |
| 1570372 | CIF | C16 H20 Mn N6 O6 S2 | P 1 21/c 1 | 10.4862; 15.4994; 7.56251 90; 98.534; 90 | 1215.52 | Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry. Chemical science, 2023, 14, 14176-14181 |
| 1570373 | CIF | C136 H90 Cl2 N4 O16 | P 1 | 13.2705; 21.6957; 22.113 111.223; 102.466; 104.738 | 5394.3 | Weh, Manuel; Kroeger, Asja A.; Anhalt, Olga; Karton, Amir; Würthner, Frank Mutual induced fit transition structure stabilization of corannulene's bowl-to-bowl inversion in a perylene bisimide cyclophane. Chemical science, 2024, 15, 609-617 |
| 1570374 | CIF | C5 H6.16 Cl2.84 I N2 O2 | P -1 | 7.5387; 8.2803; 8.4979 83.344; 89.699; 70.311 | 495.76 | Chen, Qian-Qian; Hu, Chun-Li; Zhang, Ming-Zhi; Mao, Jiang-Gao (C<sub>5</sub>H<sub>6.16</sub>N<sub>2</sub>Cl<sub>0.84</sub>)(IO<sub>2</sub>Cl<sub>2</sub>): a birefringent crystal featuring unprecedented (IO<sub>2</sub>Cl<sub>2</sub>)<sup>-</sup> anions and π-conjugated organic cations. Chemical science, 2023, 14, 14302-14307 |
| 1570375 | CIF | C12 H13 F N2 O2 S | P 1 21/c 1 | 21.5943; 5.8735; 9.8361 90; 100.575; 90 | 1226.36 | Punjajom, Kunlayanee; Sinclair, Paul P.; Saha, Ishika; Seierstad, Mark; Ameriks, Michael K.; García-Reynaga, Pablo; Lebold, Terry P.; Sarpong, Richmond Convergent synthesis of thiodiazole dioxides from simple ketones and amines through an unusual nitrogen-migration mechanism. Chemical science, 2023, 15, 328-335 |
| 1570376 | CIF | C26 H24 O3 | P 21 21 21 | 7.9089; 15.0721; 17.4446 90; 90; 90 | 2079.46 | Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers. Chemical science, 2023, 14, 13979-13985 |
| 1570377 | CIF | C31 H26 O3 | P 21 21 21 | 7.8307; 15.5594; 21.1844 90; 90; 90 | 2581.13 | Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers. Chemical science, 2023, 14, 13979-13985 |
| 1570385 | CIF | C39 H63 Cl N O P Pd | P 1 21/n 1 | 12.5212; 17.2596; 18.8102 90; 98.389; 90 | 4021.6 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570386 | CIF | C13 H30 Br P Pd | P -1 | 8.5537; 9.5525; 10.1463 91.5542; 91.4639; 94.101 | 826.31 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570387 | CIF | C16 H38 Cl P Pd Si | P 1 21/c 1 | 10.33; 15.1751; 14.0651 90; 110.126; 90 | 2070.2 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
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