Information card for entry 7101519

Structure parameters

• Formula: C23 H21 N O S
• Calculated formula: C23 H21 N O S
• SMILES: C[C@](C(=S)c1ccc(cc1)C)(c1ccccc1)NC(=O)c1ccccc1
• Title of publication: Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group
• Authors of publication: Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 44
• a: 9.7025 ± 0.0007 Å
• b: 9.9727 ± 0.0007 Å
• c: 20.1303 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1947.8 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0437
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 2.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No