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Information card for entry 8105787
Preview
| Coordinates | 8105787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 O4 |
|---|---|
| Calculated formula | C10 H10 O4 |
| Title of publication | Crystal structure of methyl 4-acetoxybenzoate, C10H10O4 |
| Authors of publication | Li-Min, Fang; Jian-Ping, Huang; Jian-Cheng, Dai; Xu-Liang, Nie; Chang-Xiang, Liu; Nian-Qian, Kang; Lin, Huang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 3 |
| Pages of publication | 585 - 586 |
| a | 25.4 ± 0.004 Å |
| b | 5.9738 ± 0.001 Å |
| c | 12.746 ± 0.002 Å |
| α | 90° |
| β | 94.318 ± 0.002° |
| γ | 90° |
| Cell volume | 1928.5 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277922 (current) | 2022-09-16 | cif/ Adding structures of 8105787 via cif-deposit CGI script. |
8105787.cif |
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Users of the data should acknowledge the original authors of the
structural data.