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Information card for entry 8106986
Preview
| Coordinates | 8106986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 N O2 |
|---|---|
| Calculated formula | C14 H11 N O2 |
| Title of publication | Crystal structure of 3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one, C14H11NO2 |
| Authors of publication | Xiao, Zheng-Kang; Lu, Jian-Mei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 719 - 720 |
| a | 10.3868 ± 0.0009 Å |
| b | 7.7695 ± 0.0007 Å |
| c | 26.576 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2144.7 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282048 (current) | 2023-03-24 | cif/ Adding structures of 8106986 via cif-deposit CGI script. |
8106986.cif |
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Users of the data should acknowledge the original authors of the
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