Information card for entry 7154125

Structure parameters

• Formula: C32 H27 N3 O2
• Calculated formula: C32 H27 N3 O2
• SMILES: N1[C@]2(C(=O)N(c3c2cccc3)Cc2ccccc2)C[C@H](c2cc(OC)ccc12)c1c[nH]c2c1cccc2
• Title of publication: Catalytic asymmetric Povarov reaction of isatin-derived 2-azadienes with 3-vinylindoles.
• Authors of publication: Zhang, Hong-Hao; Sun, Xiao-Xue; Liang, Jing; Wang, Yue-Ming; Zhao, Chang-Chun; Shi, Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 47
• Pages of publication: 9539 - 9546
• a: 17.5165 ± 0.0003 Å
• b: 5.8865 ± 0.0001 Å
• c: 23.614 ± 0.0004 Å
• α: 90°
• β: 94.997 ± 0.001°
• γ: 90°
• Cell volume: 2425.61 ± 0.07 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No