Information card for entry 3500098

Structure parameters

• Common name: b-D-Glucurono-1,4-lactone
• Formula: C6 H8 O6
• Calculated formula: C6 H8 O6
• Title of publication: beta-D-Glucurono-1,4-lactone
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 6.5747 ± 0.0002 Å
• b: 7.4299 ± 0.0003 Å
• c: 6.7388 ± 0.0002 Å
• α: 90°
• β: 93.33 ± 0.001°
• γ: 90°
• Cell volume: 328.63 ± 0.019 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0369
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes