Information card for entry 1513460

Structure parameters

• Formula: C37 H36 N2 O4 S
• Calculated formula: C37 H36 N2 O4 S
• SMILES: S(=O)(N[C@@]1(C(=O)N(c2c1cccc2)C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@]1(OC(=O)C(=C1)C)C)C(C)(C)C
• Title of publication: Asymmetric Vinylogous Mannich Reaction of Silyloxy Furans with N-tert-Butanesulfinyl Ketimines.
• Authors of publication: Rao, V. U. Bhaskara; Jadhav, Amol P.; Garad, Dnyaneshwar; Singh, Ravi P.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 648 - 651
• a: 9.2689 ± 0.0003 Å
• b: 11.8049 ± 0.0003 Å
• c: 29.331 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3209.35 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No