Information card for entry 2207506

Structure parameters

• Common name: Prunifoxanthone A
• Chemical name: 1,6,7-Trihydroxy-3-methoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one chloroform solvate
• Formula: C25 H27 Cl3 O6
• Calculated formula: C25 H27 Cl3 O6
• SMILES: ClC(Cl)Cl.Oc1c(c(OC)cc2Oc3c(C(=O)c12)c(c(O)c(O)c3)CC=C(C)C)CC=C(C)C
• Title of publication: 1,6,7-Trihydroxy-3-methoxy-2,8-bis(3-methyl-2-butenyl)-9<i>H</i>-xanthen-9-one chloroform solvate
• Authors of publication: Nawong Boonnak; Suchada Chantrapromma; Hoong-Kun Fun; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4376 - o4378
• a: 5.9059 ± 0.0001 Å
• b: 23.3103 ± 0.0003 Å
• c: 18.4042 ± 0.0002 Å
• α: 90°
• β: 103.438 ± 0.001°
• γ: 90°
• Cell volume: 2464.31 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes