Information card for entry 7131447

Structure parameters

• Formula: C41 H32 N O3 P
• Calculated formula: C41 H32 N O3 P
• SMILES: P(=O)([C@@]1(N=CO[C@@H]1c1c(c2c(c3ccccc3)cccc2)c(ccc1)C=O)Cc1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.7964 ± 0.0003 Å
• b: 25.093 ± 0.0006 Å
• c: 10.7544 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3723.1 ± 0.16 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No