Information card for entry 4020079

Structure parameters

• Formula: C17 H22 O6
• Calculated formula: C17 H22 O6
• Authors of publication: Qinghai Zhang; Wei Xu; Xiyan Lu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1505 - 1507
• a: 8.7951 ± 0.0011 Å
• b: 9.1204 ± 0.0012 Å
• c: 11.2495 ± 0.0014 Å
• α: 80.729 ± 0.002°
• β: 78.798 ± 0.002°
• γ: 70.32 ± 0.002°
• Cell volume: 829 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No