Information card for entry 1516612

Structure parameters

• Common name: 4-(3-Fluorostyryl)coumarin
• Formula: C17 H11 F O2
• Calculated formula: C17 H11 F O2
• SMILES: c1c2c(cc(=O)oc2ccc1)/C=C/c1cc(F)ccc1
• 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: 6.879 ± 0.003 Å
• b: 3.929 ± 0.001 Å
• c: 23.459 ± 0.009 Å
• α: 90°
• β: 90.35 ± 0.04°
• γ: 90°
• Cell volume: 634 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.451
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No