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Information card for entry 8106861
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| Coordinates | 8106861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H11 N O3 |
|---|---|
| Calculated formula | C11 H11 N O3 |
| Title of publication | Crystal structure of methyl 5-methoxy 1H-indole-2-carboxylate, C11H11NO3 |
| Authors of publication | Attia, Mohamed I.; Ghabbour, Hazem A.; Fun, Hoong-Kun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 313 - 314 |
| a | 7.8956 ± 0.0006 Å |
| b | 5.8304 ± 0.0004 Å |
| c | 22.0407 ± 0.0016 Å |
| α | 90° |
| β | 91.919 ± 0.003° |
| γ | 90° |
| Cell volume | 1014.06 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0575 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281696 (current) | 2023-03-07 | cif/ Adding structures of 8106861 via cif-deposit CGI script. |
8106861.cif |
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Users of the data should acknowledge the original authors of the
structural data.