Information card for entry 4020051

Structure parameters

• Formula: C17 H16 O6
• Calculated formula: C17 H16 O6
• Authors of publication: Shengming Ma; Lianghua Lu; Ping Lu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1063 - 1065
• a: 9.4395 ± 0.0011 Å
• b: 11.589 ± 0.0014 Å
• c: 15.0764 ± 0.0018 Å
• α: 90°
• β: 104.516 ± 0.002°
• γ: 90°
• Cell volume: 1596.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0965
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No