Information card for entry 7151634

Structure parameters

• Formula: C21 H32 N2 O6
• Calculated formula: C21 H32 N2 O6
• Title of publication: Access to β,γ-diamino acids. Application to the synthesis of 3-deoxyaminostatine.
• Authors of publication: Bouillère, Francelin; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 394 - 399
• a: 5.1216 ± 0.0003 Å
• b: 10.4652 ± 0.0006 Å
• c: 21.3646 ± 0.0014 Å
• α: 90°
• β: 95.373 ± 0.002°
• γ: 90°
• Cell volume: 1140.08 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.1255
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for significantly intense reflections: 0.316
• Weighted residual factors for all reflections included in the refinement: 0.3263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No