Information card for entry 1545029

Structure parameters

• Formula: C20 H24 N O5.5 P
• Calculated formula: C20 H24 N O5.5 P
• SMILES: P(=O)(OCC)(OCC)[C@]1(NC(=O)c2c1cccc2)c1ccc(OC)cc1.O(C(=O)C)CC
• Title of publication: Enantioselective Hydrophosphonylation of in Situ Generated N-Acyl Ketimines Catalyzed by BINOL-Derived Phosphoric Acid.
• Authors of publication: Suneja, Arun; Unhale, Rajshekhar A.; Singh, Vinod K.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 476 - 479
• a: 8.8456 ± 0.0007 Å
• b: 13.4959 ± 0.0012 Å
• c: 17.587 ± 0.0017 Å
• α: 92.181 ± 0.004°
• β: 98.685 ± 0.004°
• γ: 106.652 ± 0.003°
• Cell volume: 1981.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No