Information card for entry 8101757

Structure parameters

• Chemical name: triphenyl thiophosphate
• Formula: C18 H15 O3 P S
• Calculated formula: C18 H15 O3 P S
• SMILES: P(=S)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Crystal structures of triphenyl thiophosphate and selenophosphate, (C~6~H~5~)~3~PO~3~X (X = S, Se)
• Authors of publication: J. Clade; M. Jansen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 234 - 236
• a: 7.924 ± 0.002 Å
• b: 13.2874 ± 0.0012 Å
• c: 16.138 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1699.2 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for all reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.0738
• Goodness-of-fit parameter for all reflections: 1.325
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No