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Information card for entry 8106929
Preview
| Coordinates | 8106929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 N2 O12 |
|---|---|
| Calculated formula | C24 H22 N2 O12 |
| Title of publication | Crystal structure of 3,5-dicarboxybenzoate — benzene-1,3,5-tricarboxylic acid (1/1), C24H22N2O12 |
| Authors of publication | Li, Sa-Ying; Li, Ping |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 525 - 528 |
| a | 7.7057 ± 0.0004 Å |
| b | 15.2617 ± 0.0008 Å |
| c | 20.7669 ± 0.0009 Å |
| α | 83.186 ± 0.004° |
| β | 81.95 ± 0.004° |
| γ | 87.651 ± 0.004° |
| Cell volume | 2400.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0947 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1772 |
| Weighted residual factors for all reflections included in the refinement | 0.1935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281841 (current) | 2023-03-13 | cif/ Adding structures of 8106929 via cif-deposit CGI script. |
8106929.cif |
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Users of the data should acknowledge the original authors of the
structural data.