Information card for entry 7119286

Structure parameters

• Chemical name: 4-((1-(2-Fluorophenyl)vinyl)oxy)-2-phenylquinazoline
• Formula: C22 H15 F N2 O
• Calculated formula: C22 H15 F N2 O
• SMILES: c12ccccc1c(nc(c1ccccc1)n2)OC(=C)c1ccccc1F
• Title of publication: Palladium(ii)-catalyzed direct O-alkenylation of 2-arylquinazolinones with N-tosylhydrazones: an efficient route to O-alkenylquinazolines.
• Authors of publication: Lingayya, Rajaka; Vellakkaran, Mari; Nagaiah, Kommu; Tadikamalla, Prabhakar Rao; Nanubolu, Jagadeesh Babu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1672 - 1675
• a: 38.444 ± 0.004 Å
• b: 6.2239 ± 0.0006 Å
• c: 14.5234 ± 0.0013 Å
• α: 90°
• β: 96.834 ± 0.003°
• γ: 90°
• Cell volume: 3450.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No