Information card for entry 7102255

Structure parameters

• Formula: C20 H19 Cl N2 O4
• Calculated formula: C20 H19 Cl N2 O4
• SMILES: Clc1ccc([C@@H](N2C(=O)c3ccccc3C2=O)NC(=O)OC(C)(C)C)cc1
• Title of publication: VAPOL phosphoric acid catalysis: the highly enantioselective addition of imides to imines.
• Authors of publication: Liang, Yuxue; Rowland, Emily B; Rowland, Gerald B; Perman, Jason A; Antilla, Jon C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 4477 - 4479
• a: 16.565 ± 0.01 Å
• b: 12.021 ± 0.008 Å
• c: 9.812 ± 0.006 Å
• α: 90°
• β: 91.81 ± 0.02°
• γ: 90°
• Cell volume: 1953 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.193
• 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