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Information card for entry 4349494
Preview
| Coordinates | 4349494.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H20 Cl2 N4 |
|---|---|
| Calculated formula | C24 H20 Cl2 N4 |
| SMILES | Clc1nc2c(CCC3=C2Nc2c(NC43c3nc(Cl)ccc3CCC4)cccc2)cc1 |
| Title of publication | Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization |
| Authors of publication | Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 1317 |
| a | 19.07 ± 0.003 Å |
| b | 19.07 ± 0.003 Å |
| c | 12.81 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4658.5 ± 1.5 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349494.cif |
| 234820 | 2019-11-23 | cif/ Adding structures of 4349493, 4349494, 4349495, 4349496, 4349497 via cif-deposit CGI script. |
4349494.cif |
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Users of the data should acknowledge the original authors of the
structural data.