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Information card for entry 7232201
Preview
| Coordinates | 7232201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (5-chloro-3-(1-phenylbutyl)-1H-indol-2-yl)diphenylphosphine oxide |
|---|---|
| Formula | C30 H27 Cl N O P |
| Calculated formula | C30 H27 Cl N O P |
| Title of publication | Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions |
| Authors of publication | Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen |
| Journal of publication | Green Chemistry |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 4 |
| Pages of publication | 792 |
| a | 8.6081 ± 0.0001 Å |
| b | 16.0745 ± 0.0002 Å |
| c | 18.0657 ± 0.0002 Å |
| α | 90° |
| β | 99.465 ± 0.001° |
| γ | 90° |
| Cell volume | 2465.74 ± 0.05 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0817 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.1859 |
| Weighted residual factors for all reflections included in the refinement | 0.2001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0309 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232201.cif |
| 224606 | 2019-11-08 | cif/ Updating files of 7232200, 7232201 Original log message: Adding full bibliography for 7232200--7232201.cif. |
7232201.cif |
| 213255 | 2019-01-23 | cif/ Adding structures of 7232200, 7232201 via cif-deposit CGI script. |
7232201.cif |
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Users of the data should acknowledge the original authors of the
structural data.