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Information card for entry 8106389
Preview
| Coordinates | 8106389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 O2 |
|---|---|
| Calculated formula | C16 H16 O2 |
| SMILES | O(c1ccc(C2Oc3c(CC2)cccc3)cc1)C |
| Title of publication | Crystal structure of 2-(4-methoxyphenyl)chromane, C16H16O2 |
| Authors of publication | Li, Zhong-Yan; Yuan, Lin; Yuan, Xian-You; Zhang, Min |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 6 |
| Pages of publication | 1033 - 1034 |
| a | 13.685 ± 0.01 Å |
| b | 6.461 ± 0.005 Å |
| c | 15.717 ± 0.012 Å |
| α | 90° |
| β | 112.262 ± 0.008° |
| γ | 90° |
| Cell volume | 1286.1 ± 1.7 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 | 0.05 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279864 (current) | 2022-12-13 | cif/ Adding structures of 8106389 via cif-deposit CGI script. |
8106389.cif |
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Users of the data should acknowledge the original authors of the
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