Information card for entry 7151903

Structure parameters

• Common name: Fmoc-Val-CH2OH
• Chemical name: Fmoc-Val-CH2OH
• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: C1(c2ccccc2c2ccccc12)COC(=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: 4.942 ± 0.004 Å
• b: 11.622 ± 0.011 Å
• c: 15.783 ± 0.014 Å
• α: 90°
• β: 93.573 ± 0.014°
• γ: 90°
• Cell volume: 904.7 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.456
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No