Information card for entry 2005300

Structure parameters

• Formula: C16 H20 O3
• Calculated formula: C16 H20 O3
• SMILES: [C@@]123C(=O)C[C@@]4(CC[C@H]1C([C@H]2CC(=O)C=C3O4)(C)C)C.[C@]123C(=O)C[C@]4(CC[C@@H]1C([C@@H]2CC(=O)C=C3O4)(C)C)C
• Title of publication: (1α,3α,11α)-2,2,11-Trimethyl-14-oxatetracyclo[6.5.0.1^7,11^.0^3,8^]tetradec-6-ene-5,9-dione
• Authors of publication: Kabaleeswaran, V.; Rajan, S. S.; Kalena, G. P.; Pradhan, P.; Banerji, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1981 - 1983
• a: 26.287 ± 0.005 Å
• b: 7.44 ± 0.002 Å
• c: 17.775 ± 0.004 Å
• α: 90°
• β: 127.64 ± 0.02°
• γ: 90°
• Cell volume: 2752.8 ± 1.3 ų
• Cell temperature: 273 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 0.75
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No