Information card for entry 1552971

Structure parameters

• Formula: C31 H30 N2
• Calculated formula: C31 H30 N2
• Title of publication: Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives
• Authors of publication: Wang, Bin; Gu, Zhenhua
• Journal of publication: Org. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 271
• a: 26.28 ± 0.002 Å
• b: 9.4772 ± 0.0007 Å
• c: 9.5917 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2388.9 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No