Information card for entry 7151904

Structure parameters

• Common name: Boc-Aib-Ala-Leu-CH2OH
• Chemical name: Boc-Aib-Ala-Leu-CH2OH
• Formula: C19 H36 Cl3 N3 O5
• Calculated formula: C19 H36 Cl3 N3 O5
• SMILES: CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@H](CO)CC(C)C.C(Cl)(Cl)Cl
• 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: 10.578 ± 0.004 Å
• b: 11.206 ± 0.004 Å
• c: 23.306 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2762.6 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Ambient diffracton pressure: 101.325 kPa
• Number of distinct elements: 5
• 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: 0.2755
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.715
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No