Information card for entry 2008843

Structure parameters

• Formula: C22 H34 O4
• Calculated formula: C22 H34 O4
• SMILES: C=C1C[C@H]2[C@@H](CC[C@@H]3CO[C@H]4[C@@H]3CC(=C)[C@@](C4)(C)O)CO[C@H]2C[C@@]1(C)O
• Title of publication: (3<i>S</i>,3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-3-{2-[(3<i>R</i>,3a<i>S</i>,6<i>R</i>,7a<i>S</i>)-6-Hydroxy-6-methyl-5-methyleneperhydrobenzo[<i>b</i>]furan-3-yl]ethyl}-6-methyl-5-methyleneperhydrobenzo[<i>b</i>]furan-6-ol
• Authors of publication: Anthony R. J. Genge; Raymond J. Boffey; Jeremy D. Kilburn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: IUC9900089
• a: 8.301 ± 0.002 Å
• b: 9.287 ± 0.002 Å
• c: 6.791 ± 0.002 Å
• α: 98.67 ± 0.02°
• β: 100.73 ± 0.02°
• γ: 70.49 ± 0.02°
• Cell volume: 482.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.047
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes