Information card for entry 2004714

Structure parameters

• Formula: C18 H22 O2
• Calculated formula: C18 H22 O2
• SMILES: c12ccccc1CCC[C@@]13CCC[C@@]([C@H]1C2)(C(=O)O3)C.c12ccccc1CCC[C@]13CCC[C@]([C@@H]1C2)(C(=O)O3)C
• Title of publication: (1<i>RS</i>,4a<i>SR</i>,12a<i>SR</i>)-1-Methyl-1,2,3,4,4a,5,6,7,12,12a-decahydrodibenzo[<i>a</i>,<i>d</i>]cyclooctene-1,4a-carbolactone
• Authors of publication: Ghosh, K.; Pramanik, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1029 - 1030
• a: 11.873 ± 0.002 Å
• b: 14.322 ± 0.004 Å
• c: 17.541 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2982.8 ± 1.4 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.0705
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No