Information card for entry 7156549

Structure parameters

• Formula: C53 H41 Cl3 N4
• Calculated formula: C53 H41 Cl3 N4
• Title of publication: I₂-Triggered N-O cleavage of ketoxime acetates for the synthesis of 3-(4-pyridyl)indoles.
• Authors of publication: Gao, Qinghe; Wang, Yakun; Wang, Qianqian; Zhu, Yanping; Liu, Zhaomin; Zhang, Jixia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 9030 - 9037
• a: 25.4646 ± 0.0015 Å
• b: 16.7733 ± 0.0009 Å
• c: 10.4497 ± 0.0008 Å
• α: 90°
• β: 100.998 ± 0.006°
• γ: 90°
• Cell volume: 4381.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No