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Information card for entry 8107427
Preview
| Coordinates | 8107427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 O3 |
|---|---|
| Calculated formula | C15 H14 O3 |
| Title of publication | Crystal structure of 1-(4-methoxyphenyl)-2-phenoxyethan-1-one, C15H14O3 |
| Authors of publication | Sun, Shixiong; Zhao, Benbo; Deng, Ping; Cheng, Yuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 317 - 318 |
| a | 5.5859 ± 0.001 Å |
| b | 24.818 ± 0.004 Å |
| c | 9.3393 ± 0.0015 Å |
| α | 90° |
| β | 101.128 ± 0.003° |
| γ | 90° |
| Cell volume | 1270.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284752 (current) | 2023-07-03 | cif/ Adding structures of 8107427 via cif-deposit CGI script. |
8107427.cif |
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Users of the data should acknowledge the original authors of the
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