Information card for entry 7154863

Structure parameters

• Formula: C38 H26 N2
• Calculated formula: C38 H26 N2
• Title of publication: Synthesis of substituted benzo[ij]imidazo[2,1,5-de]quinolizine by rhodium(iii)-catalyzed multiple C-H activation and annulations.
• Authors of publication: Ge, Qingmei; Li, Bin; Wang, Baiquan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1814 - 1821
• a: 6.892 ± 0.0014 Å
• b: 16.172 ± 0.003 Å
• c: 25.048 ± 0.006 Å
• α: 90°
• β: 100.1 ± 0.03°
• γ: 90°
• Cell volume: 2748.5 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• 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: 0.0989
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No