Information card for entry 1501942

Structure parameters

• Formula: C23 H19 N O3 S
• Calculated formula: C23 H19 N O3 S
• SMILES: S(=O)(=O)(N[C@H](c1c(O)c2ccccc2cc1)c1ccccc1)c1ccccc1
• Title of publication: Organocatalytic enantioselective Friedel-crafts reactions of 1-naphthols with aldimines.
• Authors of publication: Liu, Guixia; Zhang, Shilei; Li, Hao; Zhang, Tangzhi; Wang, Wei
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 828 - 831
• a: 9.4752 ± 0.0003 Å
• b: 7.9303 ± 0.0003 Å
• c: 12.82 ± 0.0005 Å
• α: 90°
• β: 102.782 ± 0.001°
• γ: 90°
• Cell volume: 939.44 ± 0.06 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No