Information card for entry 4030473

Structure parameters

• Formula: C74 H62 Br2 Cl2 N6 O4
• Calculated formula: C74 H62 Br2 Cl2 N6 O4
• Title of publication: Catalyst-controlled chemoselective reaction of 3-indolylmethanols with cyclic enaminones leading to c2-functionalized indoles.
• Authors of publication: Li, Xin; Tan, Wei; Gong, Yu-Xin; Shi, Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 3
• Pages of publication: 1841 - 1848
• a: 9.0626 ± 0.0005 Å
• b: 14.5164 ± 0.001 Å
• c: 12.4684 ± 0.0009 Å
• α: 90°
• β: 106.449 ± 0.004°
• γ: 90°
• Cell volume: 1573.16 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No