Information card for entry 1505534

Structure parameters

• Common name: 07026
• Formula: C38 H47 N O10 S
• Calculated formula: C38 H47 N O10 S
• SMILES: S(=O)(=O)(Oc1cccc(C)c1c1c(N2C(=O)OCC(C2)(C)C)c(C)c2CC(Cc2c1C)(C(=O)OC)C(=O)OC)C[C@@]12C(=O)C[C@@H](CC1)C2(C)C
• Title of publication: Stereochemical control of both C-C and C-N axial chirality in the synthesis of chiral N,O-biaryls.
• Authors of publication: Oppenheimer, Jossian; Hsung, Richard P.; Figueroa, Ruth; Johnson, Whitney L.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 3969 - 3972
• a: 9.8046 ± 0.0008 Å
• b: 14.0001 ± 0.0012 Å
• c: 26.276 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3606.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No