Information card for entry 8103261

Structure parameters

• Formula: C6 H14 Cl N O2
• Calculated formula: C6 H14 Cl N O2
• Title of publication: Refinement of the crystal structure of L-valinemethylester hydrochloride, C6H13NO2 • HCl, at 200 K
• Authors of publication: Richard Betz; Thomas Gerber; Henk Schalekamp; Eric Hosten
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 637
• a: 5.9023 ± 0.0002 Å
• b: 7.2617 ± 0.0002 Å
• c: 21.5387 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 923.16 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No