Information card for entry 2011345

Structure parameters

• Chemical name: 6-methyl-4(2-napthyl)ethenyl-3-cyano-1-benzopyran-2-one.
• Formula: C23 H15 N O2
• Calculated formula: C23 H15 N O2
• SMILES: O1c2c(cc(cc2)C)C(=C(C1=O)C#N)/C=C/c1c2c(ccc1)cccc2
• Title of publication: 3-Cyano-6-methyl-4-(2-naphthylethenyl)-1-benzopyran-2-one
• Authors of publication: Vijayalakshmi, L.; Parthasarathi, V.; Varu, Bharat; Dodia, Narasinh; Shah, Anamik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e401 - e402
• a: 7.814 ± 0.005 Å
• b: 11.561 ± 0.003 Å
• c: 18.58 ± 0.007 Å
• α: 90°
• β: 101.96 ± 0.04°
• γ: 90°
• Cell volume: 1642 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes