Information card for entry 2205964

Structure parameters

• Common name: Methyl linderone
• Chemical name: 4,5-Dimethoxy-2-(1-methoxy-3-phenylallylidine)cyclcopent-4-ene-1,3-dione
• Formula: C17 H16 O5
• Calculated formula: C17 H16 O5
• SMILES: O(C(=C1C(=O)C(=C(OC)C1=O)OC)/C=C/c1ccccc1)C
• Title of publication: 4,5-Dimethoxy-2-(1-methoxy-3-phenylallylidene)cyclopent-4-ene-1,3-dione (methyl linderone)
• Authors of publication: Syah, Yana M.; Suastri, Nyoman S.; Latip, Jalifah; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1530 - o1531
• a: 7.38 ± 0.003 Å
• b: 8.139 ± 0.003 Å
• c: 13.781 ± 0.005 Å
• α: 78.224 ± 0.005°
• β: 87.913 ± 0.006°
• γ: 68.28 ± 0.005°
• Cell volume: 752.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes