Information card for entry 7226956

Structure parameters

• Formula: C15 H9 Cl F3 N O2 S
• Calculated formula: C15 H9 Cl F3 N O2 S
• SMILES: s1c(C2(OC(=N\O)/C(=C2)c2ccc(Cl)cc2)C(F)(F)F)ccc1
• 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: 6.8042 ± 0.0008 Å
• b: 10.4803 ± 0.0013 Å
• c: 10.7532 ± 0.0013 Å
• α: 94.479 ± 0.002°
• β: 93.483 ± 0.002°
• γ: 102.53 ± 0.002°
• Cell volume: 743.88 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No