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Information card for entry 8107682
Preview
| Coordinates | 8107682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | methyl 5-nitro-2-(tosyloxy)benzoate |
|---|---|
| Formula | C15 H13 N O7 S |
| Calculated formula | C15 H13 N O7 S |
| Title of publication | The crystal structure of methyl 5-nitro-2-(tosyloxy)benzoate, C15H13NO7S |
| Authors of publication | Deng, Shao-Wen; Yuan, Lin; Li, Zhong-Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1133 - 1134 |
| a | 6.599 ± 0.0011 Å |
| b | 7.7259 ± 0.0013 Å |
| c | 16.428 ± 0.003 Å |
| α | 79.1416 ± 0.0018° |
| β | 79.4782 ± 0.0016° |
| γ | 81.1835 ± 0.0018° |
| Cell volume | 802.6 ± 0.2 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287802 (current) | 2023-11-27 | cif/ Adding structures of 8107682 via cif-deposit CGI script. |
8107682.cif |
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