Information card for entry 2003883

Structure parameters

• Chemical name: 2-(diphenylphosphine sulfide)cyclohexanone
• Formula: C18 H19 O P S
• Calculated formula: C18 H19 O P S
• SMILES: P(=S)([C@@H]1CCCCC1=O)(c1ccccc1)c1ccccc1
• Title of publication: Diphenyl(2-oxocyclohexyl)phosphine Sulfide
• Authors of publication: Boukraa, M.; Jouini, T.; Barkallah, S.; Ben Akacha, A.; Zantour, H.; Baccar, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1851 - 1853
• a: 9.526 ± 0.002 Å
• b: 10.194 ± 0.002 Å
• c: 16.391 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections: 0.1313
• Weighted residual factors for significantly intense reflections: 0.1257
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No