Information card for entry 2238543

Structure parameters

• Common name: Lacinilene C 7-methyl ether
• Chemical name: 1-Hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1<i>H</i>)-one
• Formula: C16 H20 O3
• Calculated formula: C16 H20 O3
• SMILES: O(c1cc2C(O)(C(=O)C=C(c2cc1C)C(C)C)C)C
• Title of publication: Lacinilene C 7-methyl ether
• Authors of publication: Uzbekov, Vyacheslav V.; Talipov, Samat A.; Ibragimov, Bakhtiyar T.; Stipanovic, Robert D.; Bell, Alois A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1392
• a: 8.285 ± 0.002 Å
• b: 8.987 ± 0.002 Å
• c: 10.665 ± 0.003 Å
• α: 68.58 ± 0.02°
• β: 78.95 ± 0.02°
• γ: 88.87 ± 0.02°
• Cell volume: 724.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes