Information card for entry 2223967

Structure parameters

• Common name: gochnatiolide A acetone 0.92-solvate
• Chemical name: 5'a-hydroxy-1',3,6,8'-tetrakis(methylene)- 3a,4,5,5',5'a,6,6',6a,7,7',7'a,8',9a,9b,10'a,10'b-hexadecahydro spiro[azuleno[4,5-<i>b</i>]furan-9(2<i>H</i>),3'- [3<i>H</i>]benz[1,8]azuleno[4,5-<i>b</i>]furan]- 2,2',8,9'(1'<i>H</i>,3<i>H</i>,4'<i>H</i>)-tetrone acetone 0.92-solvate
• Formula: C32.76 H35.51 O7.92
• Calculated formula: C32.757 H35.514 O7.919
• Title of publication: A dimeric sesquiterpene, gochnatiolide A
• Authors of publication: Xiong, Hui-Ping; Wu, Zhi-Jun; Chen, Dong-Sheng; Chen, Wan-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2847
• a: 8.709 ± 0.004 Å
• b: 12.652 ± 0.006 Å
• c: 25.89 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2853 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Cell measurement pressure: 1 kPa
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes