Information card for entry 1504893

Structure parameters

• Formula: C24 H27 N O6
• Calculated formula: C24 H27 N O6
• SMILES: O(C(=O)CN1C(=O)c2c([C@H](C(=O)O)[C@H]1[C@@H](OCc1ccccc1)C(C)C)cccc2)C
• 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: 11.0148 ± 0.0004 Å
• b: 15.6616 ± 0.0007 Å
• c: 13.2742 ± 0.0005 Å
• α: 90°
• β: 91.291 ± 0.003°
• γ: 90°
• Cell volume: 2289.34 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No