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Information card for entry 8107072
Preview
| Coordinates | 8107072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N O4 |
|---|---|
| Calculated formula | C17 H17 N O4 |
| Title of publication | Crystal structure of dimethyl 5-(benzylamino)isophthalate, C17H17NO4 |
| Authors of publication | Sun, Weixuan; Fang, Xuedong; Zang, Hu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 987 - 988 |
| a | 24.367 ± 0.003 Å |
| b | 6.2556 ± 0.0006 Å |
| c | 20.854 ± 0.002 Å |
| α | 90° |
| β | 110.016 ± 0.002° |
| γ | 90° |
| Cell volume | 2986.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1146 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282516 (current) | 2023-04-07 | cif/ Adding structures of 8107072 via cif-deposit CGI script. |
8107072.cif |
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Users of the data should acknowledge the original authors of the
structural data.