Information card for entry 7121847

Structure parameters

• Formula: C41 H43 N4
• Calculated formula: C41 H43 N4
• Title of publication: Substrate-controlled divergent synthesis of polycyclic indoloazepines and indolodiazepines via 1,5-hydride shift/7-cyclization cascades.
• Authors of publication: Liu, Siyuan; Qu, Jingping; Wang, Baomin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 57
• Pages of publication: 7928 - 7931
• a: 20.821 ± 0.003 Å
• b: 9.5022 ± 0.0012 Å
• c: 17.881 ± 0.002 Å
• α: 90°
• β: 110.124 ± 0.008°
• γ: 90°
• Cell volume: 3321.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2155
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No