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Information card for entry 1547554
Preview
Coordinates | 1547554.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H29 O P |
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Calculated formula | C26 H29 O P |
SMILES | P12C(=C\c3ccc(OC)cc3)/C(=C(C)C1(CC(=C(C)C2)C)c1ccccc1)C |
Title of publication | Generation and Trapping of a 1-Phosphafulvene: An Illustration of the P═C/C═C Analogy. |
Authors of publication | Hu, Zhengsong; Tian, Rongqiang; Zhao, Kang; Liu, Yanjie; Duan, Zheng; Mathey, François |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 18 |
Pages of publication | 5004 - 5006 |
a | 7.3313 ± 0.0002 Å |
b | 19.6104 ± 0.0005 Å |
c | 15.1854 ± 0.0004 Å |
α | 90° |
β | 98.05 ± 0.002° |
γ | 90° |
Cell volume | 2161.69 ± 0.1 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1473 |
Weighted residual factors for all reflections included in the refinement | 0.1529 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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