Information card for entry 7153587

Structure parameters

• Formula: C25 H25 N2 O6 P
• Calculated formula: C25 H25 N2 O6 P
• SMILES: c1(ccccc1)OP(=O)([C@]1(C(=O)Nc2ccccc12)NC(=O)OC(C)(C)C)Oc1ccccc1
• Title of publication: First example of quinine-squaramide catalyzed enantioselective addition of diphenyl phosphite to ketimines derived from isatins.
• Authors of publication: George, Jimil; Sridhar, B.; Reddy, B. V. Subba
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 1595 - 1602
• a: 8.901 ± 0.002 Å
• b: 12.206 ± 0.003 Å
• c: 22.343 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2427.5 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0755
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No