Information card for entry 7152806

Structure parameters

• Chemical name: Boc-gI(b-CH2NO2)-COOH
• Formula: C14 H26 N2 O6
• Calculated formula: C14 H26 N2 O6
• SMILES: O(C(C)(C)C)C(=O)N[C@@H]([C@H](CC)C)[C@@H](CN(=O)=O)CC(=O)O
• 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: 11.226 ± 0.008 Å
• b: 7.133 ± 0.005 Å
• c: 12.018 ± 0.009 Å
• α: 90°
• β: 110.948 ± 0.015°
• γ: 90°
• Cell volume: 898.7 ± 1.1 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: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No