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Information card for entry 8105166
Preview
| Coordinates | 8105166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H7 N O4 |
|---|---|
| Calculated formula | C8 H7 N O4 |
| Title of publication | The crystal structure of 2-aminoisophthalic acid, C8H7NO4 |
| Authors of publication | Cai, Bin; Zhu, Meng-En; Meng, Yu-Ning; Li, Kun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 3 |
| Pages of publication | 543 - 544 |
| a | 4.9752 ± 0.0011 Å |
| b | 14.167 ± 0.003 Å |
| c | 10.999 ± 0.002 Å |
| α | 90° |
| β | 99.066 ± 0.005° |
| γ | 90° |
| Cell volume | 765.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0837 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275099 (current) | 2022-05-06 | cif/ Adding structures of 8105166 via cif-deposit CGI script. |
8105166.cif |
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Users of the data should acknowledge the original authors of the
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