Information card for entry 7239234

Structure parameters

• Formula: C20 H22 O8
• Calculated formula: C20 H22 O8
• Title of publication: Design, synthesis, and preliminary biological evaluation of novel ketone derivatives of shikimic acid
• Authors of publication: Jiang, Min; Xiong, Bing; Shen, Yu-mei; Yang, Chunhao
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 43
• Pages of publication: 20599
• a: 8.9355 ± 0.0009 Å
• b: 10.2534 ± 0.0011 Å
• c: 22.396 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2051.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No