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Information card for entry 7209020
Preview
Coordinates | 7209020.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H15 Br O |
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Calculated formula | C11 H15 Br O |
SMILES | Brc1ccccc1[C@@H](O)C(C)(C)C |
Title of publication | Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions |
Authors of publication | Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 5 |
Pages of publication | 836 |
a | 9.6636 ± 0.0024 Å |
b | 23.3522 ± 0.0052 Å |
c | 11.4105 ± 0.0027 Å |
α | 90° |
β | 114.896 ± 0.0147° |
γ | 90° |
Cell volume | 2335.7 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0931 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7209020.html
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