Information card for entry 1549399

Structure parameters

• Formula: C30 H30 N2 O3 S
• Calculated formula: C30 H30 N2 O3 S
• SMILES: S(=O)(=O)(N1CC(O)(C(=C(C1)C)C(=C)Cc1c[nH]c2c1cccc2)c1ccccc1)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: 13.2526 ± 0.0017 Å
• b: 8.5485 ± 0.0011 Å
• c: 23.163 ± 0.003 Å
• α: 90°
• β: 97.46 ± 0.003°
• γ: 90°
• Cell volume: 2601.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No