Information card for entry 1520635

Structure parameters

• Formula: C30 H29 N O3
• Calculated formula: C30 H29 N O3
• SMILES: O(C(=O)C1=C2N(C(c3ccccc3)c3ccccc3)CC[C@H]2[C@@H](c2ccccc2)CC1=O)CC
• Title of publication: Direct Catalytic Asymmetric Conjugate Addition of Saturated and Unsaturated Thioamides.
• Authors of publication: Majumdar, Nilanjana; Saito, Akira; Yin, Liang; Kumagai, Naoya; Shibasaki, Masakatsu
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3362 - 3365
• a: 7.37176 ± 0.00017 Å
• b: 14.7771 ± 0.0003 Å
• c: 21.8173 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2376.63 ± 0.09 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No