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Information card for entry 1547676
Preview
Coordinates | 1547676.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H21 Cl2 O P |
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Calculated formula | C26 H21 Cl2 O P |
SMILES | ClC1=C([P+](c2ccccc2)(c2ccccc2)c2ccccc12)c1ccccc1.[Cl-].O |
Title of publication | Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit. |
Authors of publication | Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 21 |
Pages of publication | 5814 - 5817 |
a | 9.6822 ± 0.0006 Å |
b | 10.6345 ± 0.0005 Å |
c | 11.7489 ± 0.0008 Å |
α | 97.498 ± 0.005° |
β | 106.46 ± 0.006° |
γ | 93.254 ± 0.005° |
Cell volume | 1144.63 ± 0.13 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 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 all reflections | 0.0578 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1189 |
Weighted residual factors for all reflections included in the refinement | 0.1287 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1547676.html
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