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Information card for entry 4038300
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Coordinates | 4038300.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-(1-hydroxyethyl)-1,3-diphenylphosphindole 1-oxide |
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Formula | C22 H19 O2 P |
Calculated formula | C22 H19 O2 P |
Title of publication | Azobisisobutyronitrile-Initiated Oxidative C-H Functionalization of Simple Alcohols with Diaryl(arylethynyl)phosphine Oxides: A Metal-Free Approach toward Hydroxymethyl Benzo[<i>b</i>]phosphole Oxides and 6<i>H</i>-Indeno[2,1-<i>b</i>]phosphindole 5-Oxide Derivatives. |
Authors of publication | Guo, Jiami; Mao, Chenlu; Deng, Bin; Ye, Liyi; Yin, Yingwu; Gao, Yuxing; Tu, Song |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 9.5029 ± 0.0004 Å |
b | 10.3608 ± 0.0005 Å |
c | 11.0975 ± 0.0004 Å |
α | 99.412 ± 0.004° |
β | 113.277 ± 0.004° |
γ | 107.356 ± 0.004° |
Cell volume | 907.31 ± 0.09 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0565 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1305 |
Weighted residual factors for all reflections included in the refinement | 0.1509 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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