Information card for entry 2229159

Structure parameters

• Common name: 11,12-Dihydroxy-10,6,8,11,13-icetexapentane-1-one
• Chemical name: 14,15-dihydroxy-7,7-dimethyl-13-(propan-2-yl)tricyclo[9.4.0.0^3,8^]pentadeca- 1(11),3(8),9,12,14-pentaen-4-one
• Formula: C20 H24 O3
• Calculated formula: C20 H24 O3
• SMILES: O=C1CCC(C2C=Cc3c(c(O)c(O)c(c3)C(C)C)CC1=2)(C)C
• Title of publication: 11,12-Dihydroxy-10,6,8,11,13-icetexapentan-1-one
• Authors of publication: Razak, Ibrahim Abdul; Chantrapromma, Suchada; Salae, Abdul Wahab; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o256 - o257
• a: 25.109 ± 0.0009 Å
• b: 9.4317 ± 0.0003 Å
• c: 14.9609 ± 0.0004 Å
• α: 90°
• β: 108.683 ± 0.002°
• γ: 90°
• Cell volume: 3356.35 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0507
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes