Information card for entry 2217968

Structure parameters

• Chemical name: 6,6,9a-Trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-<i>c</i>]furan- 1(3<i>H</i>)-one
• Formula: C15 H22 O2
• Calculated formula: C15 H22 O2
• SMILES: O=C1OCC2=CC[C@@H]3C(CCC[C@]3([C@H]12)C)(C)C
• Title of publication: 6,6,9a-Trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-<i>c</i>]furan-1(3<i>H</i>)-one
• Authors of publication: Brito, Iván; López-Rodríguez, Matías; Zárraga, Miguel; Paz, Cristian; Pérez, Claudia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o738
• a: 7.4031 ± 0.0002 Å
• b: 7.925 ± 0.0002 Å
• c: 22.9973 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1349.24 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• 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 significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes