Information card for entry 1504890

Structure parameters

• Formula: C20 H19 N O6
• Calculated formula: C20 H19 N O6
• SMILES: C1(=O)N([C@H]([C@H](c2ccccc12)C(=O)O)c1ccc(cc1)OC)CC(=O)OC.C1(=O)N([C@@H]([C@@H](c2ccccc12)C(=O)O)c1ccc(cc1)OC)CC(=O)OC
• Title of publication: Trans-stereoselectivity in the reaction between homophthalic anhydride and imines.
• Authors of publication: Vara, Yosu; Bello, Tamara; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L; Arriortua, María I; Lopez, Xabier; Cossío, Fernando P
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 4759 - 4762
• a: 8.6578 ± 0.0007 Å
• b: 13.6243 ± 0.0008 Å
• c: 14.9077 ± 0.0012 Å
• α: 90°
• β: 92.007 ± 0.007°
• γ: 90°
• Cell volume: 1757.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No