Information card for entry 4038303

Structure parameters

• Formula: C29 H27 Br Cl3 N O
• Calculated formula: C29 H27 Br Cl3 N O
• Title of publication: Chiral Derivatives of 2-Aminotribenzotriquinacene: Synthesis and Optical Resolution.
• Authors of publication: Li, Zhi-Min; Tan, Yingfei; Ma, You-Ping; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.581 ± 0.0005 Å
• b: 8.4554 ± 0.0004 Å
• c: 25.9438 ± 0.0011 Å
• α: 90°
• β: 99.729 ± 0.005°
• γ: 90°
• Cell volume: 2720.1 ± 0.2 ų
• Cell temperature: 293.7 ± 0.3 K
• Ambient diffraction temperature: 293.7 ± 0.3 K
• Number of distinct elements: 6
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No