Information card for entry 4032099

Structure parameters

• Formula: C55.5 H81 N2 O8.5
• Calculated formula: C55.5 H81 N2 O8.5
• Title of publication: Synthesis of 12,12'-azo-13,13'-diepi-Ritterazine N.
• Authors of publication: Shi, Yong; Jiang, Xiao-Ling; Tian, Wei-Sheng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 269 - 275
• a: 25.807 ± 0.003 Å
• b: 16.852 ± 0.003 Å
• c: 13.031 ± 0.0014 Å
• α: 90°
• β: 112.568 ± 0.003°
• γ: 90°
• Cell volume: 5233.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No