Information card for entry 7235972

Structure parameters

• Formula: C H N O
• Calculated formula: C2.07407 H2.07407 N0.148148 O0.592593
• Title of publication: Friedel‒Crafts reaction of indoles with vicinal tricarbonyl compounds generated in situ from 1,3-dicarbonyl compounds and TEMPO: highly selective synthesis of tertiary alcohols
• Authors of publication: Yan, Jianwei; Ni, Tianjun; Yan, Fulin; Zhang, Jixia; Zhuang, Fangfang
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 109
• Pages of publication: 89906
• a: 10.86 ± 0.005 Å
• b: 11.654 ± 0.005 Å
• c: 11.196 ± 0.005 Å
• α: 90°
• β: 108.693 ± 0.008°
• γ: 90°
• Cell volume: 1342.2 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No