Information card for entry 2226836

Structure parameters

• Chemical name: 2-(5,6-dimethyl-9-oxo-9<i>H</i>-xanthen-4-yl)acetic acid
• Formula: C17 H14 O4
• Calculated formula: C17 H14 O4
• Title of publication: Vadimezan: 2-(5,6-dimethyl-9-oxo-9<i>H</i>-xanthen-4-yl)acetic acid
• Authors of publication: Zhang, Shi-Jie; Hu, Wei-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2082 - o2083
• a: 6.7854 ± 0.0019 Å
• b: 9.826 ± 0.003 Å
• c: 10.532 ± 0.003 Å
• α: 71.435 ± 0.007°
• β: 82.741 ± 0.009°
• γ: 83.142 ± 0.009°
• Cell volume: 658 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes