Information card for entry 1520640

Structure parameters

• Formula: C35 H32 N2 O4 S
• Calculated formula: C35 H32 N2 O4 S
• SMILES: S(=O)(=O)(N(/C=C/1[C@H](C=C2[C@@H](N(c3c2cccc3)C(=O)OCC)C1)c1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects
• Authors of publication: Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5564
• a: 6.0633 ± 0.0002 Å
• b: 11.5428 ± 0.0004 Å
• c: 42.4729 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2972.57 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No