Information card for entry 2223129

Structure parameters

• Common name: 7-Acetoxy-cochinchinone I
• Chemical name: 12-[(2<i>E</i>)-3,7-dimethyl-2,6-octadienyl]-5,8-dihydroxy-2,2-dimethyl- 2<i>H</i>,6<i>H</i>-pyrano[3,2-<i>b</i>]xanthen-6-one
• Formula: C30 H32 O6
• Calculated formula: C30 H32 O6
• SMILES: CC(=C\Cc1c2OC(C)(C)C=Cc2c(c2c1Oc1ccc(cc1C2=O)OC(=O)C)O)/CCC=C(C)C
• Title of publication: 7-Acetoxycochinchinone I
• Authors of publication: Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2223 - o2224
• a: 6.1047 ± 0.0001 Å
• b: 8.6019 ± 0.0001 Å
• c: 25.4475 ± 0.0004 Å
• α: 97.705 ± 0.002°
• β: 91.888 ± 0.001°
• γ: 106.581 ± 0.001°
• Cell volume: 1265.6 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes