Information card for entry 1516613

Structure parameters

• Common name: 4-Styrylcoumarin
• Formula: C17 H12 O2
• Calculated formula: C17 H12 O2
• SMILES: O=c1cc(/C=C/c2ccccc2)c2c(o1)cccc2
• Title of publication: Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state
• Authors of publication: Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam
• Journal of publication: Photochemical & Photobiological Sciences
• Year of publication: 2002
• Journal volume: 1
• Journal issue: 10
• Pages of publication: 799
• a: 17.057 ± 0.003 Å
• b: 8.229 ± 0.003 Å
• c: 18.261 ± 0.003 Å
• α: 90°
• β: 96.33 ± 0.02°
• γ: 90°
• Cell volume: 2547.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No