Information card for entry 4504759

Structure parameters

• Formula: C19 H17 O5 P S
• Calculated formula: C19 H17 O5 P S
• Title of publication: 2-Anisyl-5-sulfonyldiphenylphosphine Oxide, Solid-State Structure Bearing Covalent Homonuclear Negative and Positive Charge-Assisted Hydrogen Bonds
• Authors of publication: Marín-García, Liliana; Peña-Hueso, Adrián; Flores-Parra, Angelina; Contreras, Rosalinda
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 969
• a: 9.0546 ± 0.0002 Å
• b: 9.3174 ± 0.0002 Å
• c: 11.7975 ± 0.0003 Å
• α: 88.146 ± 0.001°
• β: 72.175 ± 0.001°
• γ: 70.831 ± 0.001°
• Cell volume: 892.41 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No