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Information card for entry 8105481
Preview
| Coordinates | 8105481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H18 N2 O6 |
|---|---|
| Calculated formula | C15 H18 N2 O6 |
| Title of publication | The crystal structure of 2,4-dihydroxybenzoic acid–nicotinamide–methanol (1/1/1), C15H18N2O6 |
| Authors of publication | Dai, Bencai; Zhou, Yang; Chen, Jin; Liu, Changchun; Shen, Zhihao; Tang, Junming |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 6 |
| Pages of publication | 1413 - 1415 |
| a | 7.4217 ± 0.0018 Å |
| b | 7.7021 ± 0.0018 Å |
| c | 15.362 ± 0.004 Å |
| α | 79.223 ± 0.002° |
| β | 82.086 ± 0.003° |
| γ | 65.182 ± 0.002° |
| Cell volume | 781.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0573 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276187 (current) | 2022-06-23 | cif/ Adding structures of 8105481 via cif-deposit CGI script. |
8105481.cif |
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Users of the data should acknowledge the original authors of the
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