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Information card for entry 8104988
Preview
| Coordinates | 8104988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H21 Br O2 |
|---|---|
| Calculated formula | C22 H21 Br O2 |
| Title of publication | Crystal structure of 3-allyl-4-(2-bromoethyl)-5-(4-methoxyphenyl)-2-phenylfuran, C22H21BrO2 |
| Authors of publication | Yu, Haiyan; Li, Jihong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 157 - 159 |
| a | 22.175 ± 0.002 Å |
| b | 5.8375 ± 0.0006 Å |
| c | 14.8729 ± 0.0014 Å |
| α | 90° |
| β | 100.936 ± 0.001° |
| γ | 90° |
| Cell volume | 1890.3 ± 0.3 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 | 0.0624 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274201 (current) | 2022-04-01 | cif/ Adding structures of 8104988 via cif-deposit CGI script. |
8104988.cif |
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Users of the data should acknowledge the original authors of the
structural data.