Information card for entry 2210111

Structure parameters

• Common name: 7-cinnamoyloxy-4-methylcoumarin
• Chemical name: 4-methyl-7-(3-phenylpropenoyl)oxy -2H-1-benzopyran-2-one
• Formula: C19 H14 O4
• Calculated formula: C19 H14 O4
• SMILES: O1C(=O)C=C(c2ccc(OC(=O)/C=C/c3ccccc3)cc12)C
• Title of publication: 7-Cinnamoyloxy-4-methylcoumarin
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4181 - o4182
• a: 7.349 ± 0.002 Å
• b: 10.42 ± 0.003 Å
• c: 10.658 ± 0.003 Å
• α: 79.076 ± 0.005°
• β: 71.784 ± 0.004°
• γ: 78.503 ± 0.005°
• Cell volume: 752.6 ± 0.4 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: 0.0812
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes