Information card for entry 1556050

Structure parameters

• Formula: C27 H23 N O3 S
• Calculated formula: C27 H23 N O3 S
• SMILES: S1(=O)(=O)N2C(=C[C@H](CC\2=C(\Cc2ccccc2)C(=O)C)c2ccccc2)c2ccccc12
• Title of publication: Enantioselective Synthesis of Tetrahydropyridines/Piperidines via Stepwise [4 + 2]/[2 + 2] Cyclizations.
• Authors of publication: Wang, Zhen; Xu, Huacheng; Su, Qin; Hu, Ping; Shao, Pan-Lin; He, Yun; Lu, Yixin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 3111 - 3114
• a: 11.4379 ± 0.0006 Å
• b: 12.8956 ± 0.0007 Å
• c: 15.0848 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2225 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No