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Information card for entry 2200544
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| Coordinates | 2200544.cif |
|---|---|
| Structure factors | 2200544.hkl |
| Original IUCr paper | HTML |
| Common name | 3-(phenylpropyl)diphenylphosphine |
|---|---|
| Chemical name | Diphenyl(3-phenylpropyl)phosphine |
| Formula | C21 H21 P |
| Calculated formula | C21 H21 P |
| SMILES | P(CCCc1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Diphenyl(3-phenylpropyl)phosphine |
| Authors of publication | Bond, Andrew D.; Brown, David B.; Harper, Joanne R.; Johnson, Brian F. G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 7 |
| Pages of publication | o615 - o616 |
| a | 5.7499 ± 0.0002 Å |
| b | 18.097 ± 0.0011 Å |
| c | 16.0028 ± 0.0008 Å |
| α | 90° |
| β | 91.421 ± 0.003° |
| γ | 90° |
| Cell volume | 1664.67 ± 0.14 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0999 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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