Information card for entry 7152807

Structure parameters

• Chemical name: Boc-gV(b-CH2NO2)-gL(b-CH2NO2)-COOEt
• Formula: C24 H44 N4 O9
• Calculated formula: C24 H44 N4 O9
• SMILES: O(C(C)(C)C)C(=O)N[C@@H](C(C)C)[C@@H](CN(=O)=O)CC(=O)N[C@@H](CC(C)C)[C@@H](CN(=O)=O)CC(=O)OCC
• Title of publication: Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.
• Authors of publication: Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 803 - 813
• a: 13.503 ± 0.009 Å
• b: 13.503 ± 0.009 Å
• c: 14.005 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2211 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101.325 kPa
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.2453
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.2952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No