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Information card for entry 8107643
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Coordinates | 8107643.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4-bromo-4'-methoxy-biphenyl, |
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Formula | C13 H11 Br O |
Calculated formula | C13 H11 Br O |
SMILES | Brc1ccc(cc1)c1ccc(OC)cc1 |
Title of publication | Crystal structure of 4-bromo-4’-methoxy-biphenyl, at 200 K, C13H11BrO |
Authors of publication | 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 | 29 - 30 |
a | 6.0941 ± 0.0006 Å |
b | 7.3417 ± 0.0007 Å |
c | 24.394 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1091.41 ± 0.17 Å3 |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1175 |
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 |
---|---|---|---|
287509 (current) | 2023-11-10 | cif/ Adding structures of 8107643 via cif-deposit CGI script. |
8107643.cif |
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Users of the data should acknowledge the original authors of the
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