Information card for entry 4038674

Structure parameters

• Formula: C28 H18 O2
• Calculated formula: C28 H18 O2
• Title of publication: Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
• Authors of publication: Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 8.065 ± 0.0002 Å
• b: 15.5091 ± 0.0005 Å
• c: 7.9152 ± 0.0002 Å
• α: 90°
• β: 107.286 ± 0.003°
• γ: 90°
• Cell volume: 945.32 ± 0.05 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No