Information card for entry 1552970

Structure parameters

• Formula: C24.8 H24 N1.6
• Calculated formula: C24.8 H24 N1.6
• 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: 14.4556 ± 0.0017 Å
• b: 10.033 ± 0.0007 Å
• c: 17.453 ± 0.003 Å
• α: 90°
• β: 111.716 ± 0.017°
• γ: 90°
• Cell volume: 2351.6 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.14
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2296
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No