Information card for entry 4131044

Structure parameters

• Chemical name: 2-(diphenylphosphaneyl)-N-(2-formylphenyl)benzamide
• Formula: C26 H20 N O2 P
• Calculated formula: C26 H20 N O2 P
• SMILES: P(c1ccccc1)(c1c(cccc1)C(=O)Nc1ccccc1C=O)c1ccccc1
• Title of publication: Chiroptical Asymmetric Reaction Screening via Multicomponent Self-Assembly.
• Authors of publication: De Los Santos, Zeus A.; Wolf, Christian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 41
• Pages of publication: 13517 - 13520
• a: 16.096 ± 0.003 Å
• b: 8.1863 ± 0.0017 Å
• c: 17.391 ± 0.004 Å
• α: 90°
• β: 115.597 ± 0.003°
• γ: 90°
• Cell volume: 2066.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No