Information card for entry 4023387

Structure parameters

• Formula: C25 H34 N2 O4
• Calculated formula: C25 H34 N2 O4
• SMILES: O1C(=O)[C@H](N=C2[C@@H]1[C@@]1(CC[C@H]2C1(C)C)C)[C@H](c1ccc(cc1)C)NC(=O)OC(C)(C)C
• Title of publication: A Convenient Route to Enantiopure 3-Aryl-2,3-diaminopropanoic Acids by Diastereoselective Mannich Reaction of Camphor-Based Tricyclic Iminolactone with Imines
• Authors of publication: Huan-Huan Zhang; Xiu-Qin Hu; Xiao Wang; Yong-Chun Luo; Peng-Fei Xu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 3634 - 3637
• a: 10.0109 ± 0.0007 Å
• b: 12.1078 ± 0.0009 Å
• c: 20.4358 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2477 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No