Information card for entry 4022316

Structure parameters

• Formula: C28 H36 N2 O5
• Calculated formula: C28 H36 N2 O5
• SMILES: O(C)C(c1ccccc1)(c1ccccc1)[C@H]1N(/N=C/[C@@H](C(C(=O)OC)C(=O)OC)C(C)C)CCC1
• Title of publication: Asymmetric Synthesis of Succinic Semialdehyde Derivatives
• Authors of publication: José M. Lassaletta; Juan Vázquez; Auxiliadora Prieto; Rosario Fernández; Gerhard Raabe; Dieter Enders
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 2698 - 2703
• a: 7.36 ± 0.001 Å
• b: 8.0568 ± 0.0007 Å
• c: 22.125 ± 0.004 Å
• α: 90°
• β: 98.12 ± 0.01°
• γ: 90°
• Cell volume: 1298.8 ± 0.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.479
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No