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Information card for entry 8107646
Preview
| Coordinates | 8107646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-bromobenzoic acid-triphenylphosphane oxide-water(1:2:1) |
|---|---|
| Formula | C79 H69 Br O8 P4 |
| Calculated formula | C79 H69 Br O8 P4 |
| Title of publication | The crystal structure of 4-bromobenzoic acid — triphenylphosphane oxide — water (1:2:1), C79H69BrO8P4 |
| Authors of publication | Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 1 |
| Pages of publication | 35 - 37 |
| a | 8.831 ± 0.0004 Å |
| b | 9.779 ± 0.0004 Å |
| c | 20.4514 ± 0.0008 Å |
| α | 87.361 ± 0.002° |
| β | 78.463 ± 0.002° |
| γ | 76.439 ± 0.002° |
| Cell volume | 1682.22 ± 0.12 Å3 |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287512 (current) | 2023-11-10 | cif/ Adding structures of 8107646 via cif-deposit CGI script. |
8107646.cif |
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