Information card for entry 7151905

Structure parameters

• Common name: Dipeptide alcohol
• Chemical name: Dipeptide alcohol
• Formula: C13 H26 N2 O4
• Calculated formula: C13 H26 N2 O4
• SMILES: CC(C)(C)OC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)CO
• Title of publication: A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.
• Authors of publication: Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4182 - 4187
• a: 9.704 ± 0.003 Å
• b: 13.077 ± 0.003 Å
• c: 25.661 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3256.4 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 200 K
• Ambient diffracton pressure: 101.325 kPa
• 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: 0.1186
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.592
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No