Information card for entry 4024573

Structure parameters

• Formula: C18.88 H18.75 N O6
• Calculated formula: C18.9955 H19 N O6
• Title of publication: N-Heterocyclic Carbene-Catalyzed Domino Ring-Opening/Redox Amidation/Cyclization Reactions of Formylcyclopropane 1,1-Diesters: Direct Construction of a 6-5-6 Tricyclic Hydropyrido[1,2-a]indole Skeleton
• Authors of publication: Ding Du; Linxia Li; Zhongwen Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 4379 - 4382
• a: 17.928 ± 0.004 Å
• b: 10.085 ± 0.002 Å
• c: 38.581 ± 0.008 Å
• α: 90°
• β: 92.05 ± 0.03°
• γ: 90°
• Cell volume: 6971 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No