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Information card for entry 8107285
Preview
| Coordinates | 8107285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-((4-chloro-N-(2-methoxyethyl)benzamido)methyl)phenyl methanesulfonate |
|---|---|
| Formula | C18 H20 Cl N O5 S |
| Calculated formula | C18 H20 Cl N O5 S |
| Title of publication | The crystal structure of 3-((4-chloro-N-(2-methoxyethyl)benzamido)methyl)phenyl methanesulfonate, C18H20ClNO5S |
| Authors of publication | Li, Yong; Wu, Yundeng; Wang, Jingjing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1033 - 1036 |
| a | 5.671 ± 0.004 Å |
| b | 18.225 ± 0.013 Å |
| c | 17.99 ± 0.02 Å |
| α | 90° |
| β | 90.18 ± 0.04° |
| γ | 90° |
| Cell volume | 1859 ± 3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0813 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284124 (current) | 2023-06-01 | cif/ Adding structures of 8107285 via cif-deposit CGI script. |
8107285.cif |
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