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Information card for entry 3500102
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| Coordinates | 3500102.cif |
|---|---|
| Structure factors | 3500102.hkl |
| Formula | C9 H11 Br O3 |
|---|---|
| Calculated formula | C9 H11 Br O3 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 30.333 ± 0.003 Å |
| b | 4.6431 ± 0.0005 Å |
| c | 14.0351 ± 0.0014 Å |
| α | 90° |
| β | 98.309 ± 0.006° |
| γ | 90° |
| Cell volume | 1955.9 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251903 (current) | 2020-05-08 | cif/ hkl/ Adding structures of 3500102 via cif-deposit CGI script. |
3500102.cif 3500102.hkl |
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Users of the data should acknowledge the original authors of the
structural data.