Information card for entry 7122481

Structure parameters

• Formula: C32 H28 N4 O2
• Calculated formula: C32 H28 N4 O2
• Title of publication: NaHS·nH₂O-induced umpolung: the synthesis of 2-acyl-3-aminoindoles from aryl methyl ketones and 2-aminobenzonitriles.
• Authors of publication: Geng, Xiao; Wu, Xia; Wang, Can; Zhao, Peng; Zhou, You; Sun, Xuan; Wang, Ling-Jiao; Guan, Wen-Juan; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 90
• Pages of publication: 12730 - 12733
• a: 9.7923 ± 0.0013 Å
• b: 17.627 ± 0.002 Å
• c: 15.121 ± 0.002 Å
• α: 90°
• β: 91.028 ± 0.002°
• γ: 90°
• Cell volume: 2609.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No