Information card for entry 4514876

Structure parameters

• Formula: C20 H19 N3 O2
• Calculated formula: C20 H19 N3 O2
• SMILES: O=C1n2c(cc3ccccc23)[C@@H]2N(c3c([C@@]2(N1OC)C)cccc3)C
• Title of publication: Silver-Mediated Indole (4 + 2) Dearomative Annulation with N-Radicals: A Strategy To Construct Heterocycle-Fused Indolines
• Authors of publication: Zhang, Lin-Bao; Zhu, Ming-Hui; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1680
• a: 7.1039 ± 0.0018 Å
• b: 11.823 ± 0.003 Å
• c: 19.698 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1654.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No