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Information card for entry 8104744
Preview
| Coordinates | 8104744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 O4 |
|---|---|
| Calculated formula | C21 H20 O4 |
| SMILES | O(C)c1ccc2c(c1)ccc(c2)[C@@H](C(=O)Oc1ccccc1OC)C |
| Title of publication | Crystal structure of 2-methoxyphenyl 2-(6-methoxynaphthalen-2-yl)propanoate, C21H20O4 |
| Authors of publication | Sun, Wei; Shi, Zhe; Wang, Yan; Zhou, Xiao-ping; Liang, Di |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 885 - 886 |
| a | 5.7726 ± 0.001 Å |
| b | 12.662 ± 0.002 Å |
| c | 12.068 ± 0.003 Å |
| α | 90° |
| β | 92.377 ± 0.011° |
| γ | 90° |
| Cell volume | 881.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273655 (current) | 2022-03-11 | cif/ Adding structures of 8104744 via cif-deposit CGI script. |
8104744.cif |
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Users of the data should acknowledge the original authors of the
structural data.