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Information card for entry 8104967
Preview
| Coordinates | 8104967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H20 Cl2 N2 O4 S2 |
|---|---|
| Calculated formula | C30 H20 Cl2 N2 O4 S2 |
| Title of publication | Crystal structure of 2-chloro-3-((thiophen-2-ylmethyl)amino)naphthalene-1,4-dione, C30H20O4N2Cl2S2 |
| Authors of publication | Jia, Li-Mei; Luo, Peng; Pan, Wei-Gao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 81 - 83 |
| a | 16.9808 ± 0.0014 Å |
| b | 7.5227 ± 0.0006 Å |
| c | 20.8027 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2657.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1043 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1584 |
| Weighted residual factors for all reflections included in the refinement | 0.1809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274161 (current) | 2022-03-31 | cif/ Adding structures of 8104967 via cif-deposit CGI script. |
8104967.cif |
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Users of the data should acknowledge the original authors of the
structural data.