Information card for entry 2231494

Structure parameters

• Chemical name: (<i>E</i>)-3-[3,4-Bis(methoxymethoxy)phenyl]-1-(7-hydroxy-5-methoxy- 2,2-dimethylchroman-8-yl)prop-2-en-1-one
• Formula: C25 H30 O8
• Calculated formula: C25 H30 O8
• SMILES: O1C(C)(C)CCc2c1c(c(O)cc2OC)C(=O)/C=C/c1ccc(OCOC)c(OCOC)c1
• Title of publication: (<i>E</i>)-3-[3,4-Bis(methoxymethoxy)phenyl]-1-(7-hydroxy-5-methoxy-2,2-dimethylchroman-8-yl)prop-2-en-1-one
• Authors of publication: Hashim, Nur Athirah; Ahmad, Farediah; Basar, Norazah; Awang, Khalijah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2300
• a: 9.599 ± 0.0008 Å
• b: 8.3294 ± 0.0007 Å
• c: 14.7444 ± 0.0012 Å
• α: 90°
• β: 107.684 ± 0.001°
• γ: 90°
• Cell volume: 1123.17 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes