Information card for entry 4020064

Structure parameters

• Formula: C19 H20 O7
• Calculated formula: C19 H20 O7
• Authors of publication: Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1154 - 1163
• a: 8.8162 ± 0.0001 Å
• b: 10.3256 ± 0.0002 Å
• c: 19.0296 ± 0.0003 Å
• α: 90°
• β: 94.8911 ± 0.0006°
• γ: 90°
• Cell volume: 1726.01 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No