Information card for entry 1572950

Structure parameters

• Chemical name: 2-(3,4,5-Triphenylphenyl)acetic acid acetonitrile monosolvate
• Formula: C28 H23 N O2
• Calculated formula: C28 H23 N O2
• Title of publication: Crystal structure of an acetonitrile solvate of 2-(3,4,5-triphenylphenyl)acetic acid
• Authors of publication: Seidel, Pierre; Gottwald, Franziska; Meier, Eric; Mazik, Monika
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1198 - 1201
• a: 10.0737 ± 0.0005 Å
• b: 11.1039 ± 0.0006 Å
• c: 11.5835 ± 0.0006 Å
• α: 107.025 ± 0.004°
• β: 114.263 ± 0.004°
• γ: 93.898 ± 0.004°
• Cell volume: 1102.82 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No