Information card for entry 2228448

Structure parameters

• Common name: Artonol B
• Chemical name: 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-<i>b</i>]pyrano[3,2- <i>h</i>]xanthene-7,11(3<i>H</i>,9<i>H</i>)-dione
• Formula: C24 H20 O7
• Calculated formula: C24 H20 O7
• SMILES: O1c2c(C(=O)c3c1c(c1c(c3)C(OC1=O)(C)C)C(=O)C)c(O)cc1c2C=CC(O1)(C)C
• Title of publication: 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-<i>b</i>]pyrano[3,2-<i>h</i>]xanthene-7,11(3<i>H</i>,9<i>H</i>)-dione
• Authors of publication: Ee, Gwendoline Cheng Lian; Teo, Siow Hwa; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3331 - o3332
• a: 36.511 ± 0.002 Å
• b: 5.3275 ± 0.0002 Å
• c: 20.0218 ± 0.0008 Å
• α: 90°
• β: 96.318 ± 0.005°
• γ: 90°
• Cell volume: 3870.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes