Information card for entry 2207092

Structure parameters

• Common name: An unnaturally cage xanthone from <i>Cratoxylum cochinchinese</i>
• Chemical name: 8-hydroxy-13-methoxy-17,17-dimethyl-15-(3-methyl-2-butenyl)-3,16- dioxapentacyclo[11.4.1.0^2,11^.0^2,15^.0^4,9^]octadeca-4,6,8,11- tetraene-10-14-dione
• Formula: C24 H26 O6
• Calculated formula: C24 H26 O6
• SMILES: Oc1cccc2O[C@@]34C(=C[C@@]5(OC)C(=O)[C@@]3(OC([C@@H]4C5)(C)C)CC=C(C)C)C(=O)c12.Oc1cccc2O[C@]34C(=C[C@]5(OC)C(=O)[C@]3(OC([C@H]4C5)(C)C)CC=C(C)C)C(=O)c12
• Title of publication: 8-Hydroxy-13-methoxy-17,17-dimethyl-15-(3-methyl-2-butenyl)-3,16-dioxapentacyclo[11.4.1.0^2,11^.0^2,15^.0^4,9^]octadeca-4,6,8,11-tetraene-10,14-dione
• Authors of publication: Suchada Chantrapromma; Nawong Boonnak; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3505 - o3507
• a: 11.4622 ± 0.0004 Å
• b: 7.3284 ± 0.0002 Å
• c: 26.7829 ± 0.0009 Å
• α: 90°
• β: 109.709 ± 0.002°
• γ: 90°
• Cell volume: 2117.96 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes