Information card for entry 2232060

Structure parameters

• Common name: Caloxanthone C
• Chemical name: 5,10-Dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en- 2-yl)pyrano[3,2-<i>b</i>]xanthen-6(2<i>H</i>)-one
• Formula: C23 H22 O5
• Calculated formula: C23 H22 O5
• SMILES: O1c2c(C(=O)c3c1c(c1OC(C=Cc1c3O)(C)C)C(C=C)(C)C)cccc2O
• Title of publication: Caloxanthone C: a pyranoxanthone from the stem bark of <i>Calophyllum soulattri</i>
• Authors of publication: Ee, Gwendoline Cheng Lian; Mah, Siau Hui; Kwong, Huey Chong; Teh, Soek Sin; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2607 - o2608
• a: 6.7013 ± 0.0003 Å
• b: 15.8951 ± 0.0007 Å
• c: 17.3891 ± 0.0007 Å
• α: 90°
• β: 93.181 ± 0.004°
• γ: 90°
• Cell volume: 1849.4 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0615
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.17
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0011
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes