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Information card for entry 4104783
Preview
Coordinates | 4104783.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H18 Br2 |
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Calculated formula | C27 H18 Br2 |
SMILES | C(=C(c1c(cccc1)Br)c1ccccc1)=C(c1c(cccc1)Br)c1ccccc1 |
Title of publication | Allenes in Asymmetric Catalysis: Asymmetric Ring Opening of meso-Epoxides Catalyzed by Allene-Containing Phosphine Oxides |
Authors of publication | Xiaotao Pu; Xiangbing Qi; Joseph M. Ready |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 10364 - 10365 |
a | 14.7945 ± 0.0008 Å |
b | 7.6873 ± 0.0005 Å |
c | 10.2968 ± 0.0008 Å |
α | 90° |
β | 107.147 ± 0.003° |
γ | 90° |
Cell volume | 1119 ± 0.13 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0378 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0757 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.7107 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/4104783.html
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