Information card for entry 1549400

Structure parameters

• Formula: C33 H32 N2 O3 S
• Calculated formula: C33 H32 N2 O3 S
• SMILES: S(=O)(=O)(N1CC(=C2[C@](OCC(=C)c3n(c4ccccc4c3)CC2=C)(C1)c1ccccc1)C)c1ccc(cc1)C
• Title of publication: Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.
• Authors of publication: Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 5074 - 5081
• a: 9.5994 ± 0.0004 Å
• b: 14.7775 ± 0.0006 Å
• c: 19.9833 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2834.7 ± 0.2 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: 0.0781
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No