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Information card for entry 8104555
Preview
| Coordinates | 8104555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 Br O2 |
|---|---|
| Calculated formula | C23 H23 Br O2 |
| Title of publication | Crystal structure of 3-allyl-4-(2-bromoethyl)-5-(4-methoxyphenyl)-2-(p-tolyl)furan, C23H23BrO2 |
| Authors of publication | Xu, Xue-Li; Li, Jihong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1161 - 1163 |
| a | 24.193 ± 0.004 Å |
| b | 5.8614 ± 0.001 Å |
| c | 13.873 ± 0.003 Å |
| α | 90° |
| β | 93.168 ± 0.003° |
| γ | 90° |
| Cell volume | 1964.3 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272875 (current) | 2022-02-09 | cif/ Adding structures of 8104555 via cif-deposit CGI script. |
8104555.cif |
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Users of the data should acknowledge the original authors of the
structural data.