Information card for entry 1504891

Structure parameters

• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: C1(=O)N([C@H]([C@@H](c2ccccc12)C(=O)O)c1ccccc1)C.O.C1(=O)N([C@@H]([C@H](c2ccccc12)C(=O)O)c1ccccc1)C.O
• 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: 7.0418 ± 0.0007 Å
• b: 8.4665 ± 0.0008 Å
• c: 13.3322 ± 0.0013 Å
• α: 96.026 ± 0.008°
• β: 90.191 ± 0.008°
• γ: 111.306 ± 0.007°
• Cell volume: 735.7 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No