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Information card for entry 7110242
Preview
Coordinates | 7110242.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H16 Br2 O3 |
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Calculated formula | C21 H16 Br2 O3 |
SMILES | Brc1ccc(C2=C[C@]3([C@@H](O2)C=C(C3)c2ccc(Br)cc2)C(=O)OC)cc1.Brc1ccc(C2=C[C@@]3([C@H](O2)C=C(C3)c2ccc(Br)cc2)C(=O)OC)cc1 |
Title of publication | Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons |
Authors of publication | Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 808 |
a | 7.8079 ± 0.0006 Å |
b | 14.4168 ± 0.0011 Å |
c | 16.8239 ± 0.0012 Å |
α | 90° |
β | 99.632 ± 0.002° |
γ | 90° |
Cell volume | 1867.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0617 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.1066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7110242.html
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