Information card for entry 2216842

Structure parameters

• Chemical name: O-2-Naphthyl diphenylthiophosphinate
• Formula: C22 H17 O P S
• Calculated formula: C22 H17 O P S
• SMILES: S=P(Oc1ccc2ccccc2c1)(c1ccccc1)c1ccccc1
• Title of publication: <i>O</i>-2-Naphthyl diphenylthiophosphinate
• Authors of publication: Mague, Joel T.; Punji, Benudhar; Ganesamoorthy, Chelladurai; Balakrishna, Maravanji S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4644 - o4644
• a: 9.7701 ± 0.0003 Å
• b: 19.138 ± 0.0006 Å
• c: 9.8933 ± 0.0003 Å
• α: 90°
• β: 105.834 ± 0.001°
• γ: 90°
• Cell volume: 1779.66 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes