Information card for entry 7131446

Structure parameters

• Formula: C41 H32 N O3 P
• Calculated formula: C41 H32 N O3 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)[C@]1(N=CO[C@@H]1c1cccc(c1c1ccccc1c1ccccc1)C=O)Cc1ccccc1
• Title of publication: Diastereo- and enantioselective synthesis of biaryl aldehydes bearing both axial and central chirality.
• Authors of publication: Huang, Fen; Tao, Ling-Fei; Liu, Jiyong; Qian, Linghui; Liao, Jia-Yu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 30
• Pages of publication: 4487 - 4490
• a: 14.582 ± 0.004 Å
• b: 14.754 ± 0.003 Å
• c: 15.384 ± 0.004 Å
• α: 90°
• β: 95.337 ± 0.013°
• γ: 90°
• Cell volume: 3295.4 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0458
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No