Information card for entry 2300647

Structure parameters

• Common name: Vitamin C
• Chemical name: L-ascorbic acid
• Formula: C6 H8 O6
• Calculated formula: C6 H8 O6
• SMILES: OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
• Title of publication: Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials
• Authors of publication: McMonagle, Charles James; Probert, Michael Richard
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2019
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 445 - 450
• a: 6.4196 ± 0.0002 Å
• b: 6.3619 ± 0.0003 Å
• c: 17.1568 ± 0.0006 Å
• α: 90°
• β: 99.356 ± 0.003°
• γ: 90°
• Cell volume: 691.38 ± 0.05 ų
• Cell temperature: 292.36 K
• Ambient diffraction temperature: 292.36 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes