Information card for entry 1505419

Structure parameters

• Formula: C12 H22 N2 O3.5
• Calculated formula: C12 H22 N2 O3.5
• SMILES: O.O=C1N[C@@H]([C@@H](N1)C(C)C)CC(=O)OC(C)(C)C.O.O=C1N[C@H]([C@H](N1)C(C)C)CC(=O)OC(C)(C)C
• Title of publication: A stereoselective entry into functionalized 1,2-diamines by zinc-mediated homologation of alpha-aminoacids.
• Authors of publication: Hoang, Cam Thuy; Alezra, Valérie; Guillot, Régis; Kouklovsky, Cyrille
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 2521 - 2524
• a: 16.489 ± 0.0017 Å
• b: 14.7552 ± 0.0014 Å
• c: 14.3559 ± 0.0013 Å
• α: 90°
• β: 101.286 ± 0.003°
• γ: 90°
• Cell volume: 3425.2 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No