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Information card for entry 1547554
Preview
| Coordinates | 1547554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H29 O P |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201705 (current) | 2017-10-05 | cif/ Adding structures of 1547554 via cif-deposit CGI script. |
1547554.cif |
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