Information card for entry 8104828

Structure parameters

• Common name: 3,3,3-triphenylpropionic acid
• Chemical name: 3,3,3-triphenylpropionic acid
• Formula: C21 H18 O2
• Calculated formula: C21 H18 O2
• Title of publication: Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 349 - 351
• a: 9.8213 ± 0.0006 Å
• b: 9.9212 ± 0.0006 Å
• c: 10.04 ± 0.0006 Å
• α: 65.51 ± 0.002°
• β: 63.539 ± 0.002°
• γ: 84.842 ± 0.002°
• Cell volume: 791.59 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No