Information card for entry 2005139

Structure parameters

• Common name: morusindimethylether
• Chemical name: 2-(2,4-dimethoxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one
• Formula: C27 H28 O6
• Calculated formula: C27 H28 O6
• SMILES: o1c(c(c(=O)c2c(O)cc3c(c12)C=CC(O3)(C)C)CC=C(C)C)c1c(OC)cc(OC)cc1
• Title of publication: Morusin and Morusin Dimethyl Ether
• Authors of publication: Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1713 - 1716
• a: 11.326 ± 0.002 Å
• b: 11.806 ± 0.002 Å
• c: 9.688 ± 0.002 Å
• α: 99.87 ± 0.02°
• β: 103.31 ± 0.02°
• γ: 105.73 ± 0.01°
• Cell volume: 1175 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections: 0.1539
• Weighted residual factors for significantly intense reflections: 0.1422
• Goodness-of-fit parameter for all reflections: 0.699
• Goodness-of-fit parameter for significantly intense reflections: 0.693
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No