Information card for entry 7226955

Structure parameters

• Formula: C17 H11 F4 N O2
• Calculated formula: C17 H11 F4 N O2
• SMILES: FC(F)(F)C1(O/C(=N\O)C(=C1)c1ccccc1)c1ccc(F)cc1
• Title of publication: Cascade reaction for the construction of CF3 containing tetrasubstituted furan ring
• Authors of publication: Choudhary, Manoj Kumar; Ganga, Venkata Subba Rao; Menapara, TusharKumar; Kureshy, Rukhsana Ilyas; Khan, Noor-ul H.; Abdi, Sayed H. R.; Eringathodi, Suresh
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.2924 ± 0.0016 Å
• b: 11.4971 ± 0.0011 Å
• c: 17.3169 ± 0.0017 Å
• α: 90°
• β: 113.234 ± 0.002°
• γ: 90°
• Cell volume: 2980.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0888
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No