Information card for entry 4038683

Structure parameters

• Formula: C36 H36 N2 O2
• Calculated formula: C36 H36 N2 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: 9.8347 ± 0.0001 Å
• b: 11.3818 ± 0.0001 Å
• c: 24.1002 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2697.69 ± 0.04 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No