Information card for entry 4035853

Structure parameters

• Formula: C23 H33 N O3 S
• Calculated formula: C23 H33 N O3 S
• SMILES: S(=O)(N[C@H](c1c(OC)ccc(Cc2ccc(OC)cc2)c1)C(C)C)C(C)(C)C
• Title of publication: Asymmetric Synthesis of α-(Diarylmethyl) Alkyl Amines through Regioselective Lithiation of α-Diarylmethanes and the Diastereoselective Addition to Ellman's Imines.
• Authors of publication: Reddy, Leleti Rajender; Kotturi, Sharadsrikar; Waman, Yogesh; Patel, Chirag; Danidharia, Megha; Shenoy, Rajesh
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 12
• Pages of publication: 6573 - 6579
• a: 9.76 ± 0.03 Å
• b: 8.667 ± 0.017 Å
• c: 27.31 ± 0.05 Å
• α: 90.08 ± 0.09°
• β: 91.13 ± 0.14°
• γ: 89.89 ± 0.09°
• Cell volume: 2310 ± 9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No