Information card for entry 2236096

Structure parameters

• Chemical name: (1<i>R</i>,4<i>R</i>,5a<i>S</i>,7<i>S</i>,9a<i>S</i>)-7,9a-Dimethyl- 6-methylene-3-oxo-1,3,4,5,5a,6,7,8,9,9a- decahydronaphtho[1,2-<i>c</i>]furan-1,4-diyl diacetate
• Formula: C19 H24 O6
• Calculated formula: C19 H24 O6
• SMILES: [C@@]12(CC[C@@H](C(=C)[C@@H]1C[C@H](C1=C2[C@H](OC(=O)C)OC1=O)OC(=O)C)C)C
• Title of publication: (1<i>R</i>,4<i>R</i>,5a<i>S</i>,7<i>S</i>,9a<i>S</i>)-7,9a-Dimethyl-6-methylene-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-<i>c</i>]furan-1,4-diyl diacetate
• Authors of publication: Mudyiwa, Mercy; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2612 - o2613
• a: 13.014 ± 0.002 Å
• b: 13.014 ± 0.002 Å
• c: 21.167 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3584.9 ± 0.9 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Cell measurement pressure: 101.3 kPa
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes