Information card for entry 7156237

Structure parameters

• Formula: C21 H17 N3 O2
• Calculated formula: C21 H17 N3 O2
• Title of publication: Gold-catalyzed C5-alkylation of indolines and sequential oxidative aromatization: access to C5-functionalized indoles.
• Authors of publication: Zhang, Wenzheng; Xu, Guangyang; Qiu, Lin; Sun, Jiangtao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 3889 - 3892
• a: 5.834 ± 0.0006 Å
• b: 36.798 ± 0.004 Å
• c: 8.5249 ± 0.0009 Å
• α: 90°
• β: 103.941 ± 0.003°
• γ: 90°
• Cell volume: 1776.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1431
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No