Information card for entry 2226788

Structure parameters

• Common name: Brasilixanthone
• Chemical name: 5,13-dihydroxy-3,3,10,10-tetramethyl-3<i>H</i>- dipyrano[3,2-<i>a</i>:2',3'-<i>i</i>]xanthen-14(10<i>H</i>)-one
• Formula: C23 H20 O6
• Calculated formula: C23 H20 O6
• SMILES: Oc1cc2Oc3cc4OC(C)(C)C=Cc4c(c3C(=O)c2c2c1OC(C)(C)C=C2)O
• Title of publication: Brasilixanthone
• Authors of publication: Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun; Karalai, Chatchanok; Chantrapromma, Kan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2066 - o2067
• a: 7.5842 ± 0.0003 Å
• b: 12.2937 ± 0.0004 Å
• c: 19.6023 ± 0.0006 Å
• α: 90°
• β: 96.827 ± 0.002°
• γ: 90°
• Cell volume: 1814.72 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2548
• Weighted residual factors for all reflections included in the refinement: 0.2702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes