Information card for entry 7244605

Structure parameters

• Formula: C36 H32 O6 S Sb2
• Calculated formula: C36 H32 O6 S Sb2
• 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: 12.0623 ± 0.0002 Å
• b: 14.7844 ± 0.0002 Å
• c: 18.0122 ± 0.0002 Å
• α: 90°
• β: 101.613 ± 0.001°
• γ: 90°
• Cell volume: 3146.43 ± 0.08 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No