Information card for entry 7244604

Structure parameters

• Chemical name: Triphenylarsine oxide hydrate
• Formula: C18 H17 As O2
• Calculated formula: C18 H17 As O2
• Title of publication: Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding
• Authors of publication: Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 9.465 ± 0.0002 Å
• b: 16.2211 ± 0.0003 Å
• c: 11.0562 ± 0.0003 Å
• α: 90°
• β: 113.71 ± 0.003°
• γ: 90°
• Cell volume: 1554.21 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No