Information card for entry 2216852

Structure parameters

• Chemical name: 2-[2-(<i>N</i>,<i>N</i>-Dimethylamino)phenyl]-3,3,4,4,5,5-hexafluoro- 1-(2-methyl-5-phenyl-3-thienyl)cyclopent-1-ene
• Formula: C24 H19 F6 N S
• Calculated formula: C24 H19 F6 N S
• SMILES: Cc1sc(cc1C1=C(c2ccccc2N(C)C)C(C(C1(F)F)(F)F)(F)F)c1ccccc1
• Title of publication: 2-[2-(<i>N</i>,<i>N</i>-Dimethylamino)phenyl]-3,3,4,4,5,5-hexafluoro-1-(2-methyl-5-phenyl-3-thienyl)cyclopent-1-ene
• Authors of publication: Congbin, Fan; Tianshe, Yang; Qidong, Tu; Gang, Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4721 - o4721
• a: 8.6995 ± 0.001 Å
• b: 10.0545 ± 0.0012 Å
• c: 12.8146 ± 0.0015 Å
• α: 81.019 ± 0.001°
• β: 82.697 ± 0.001°
• γ: 80.347 ± 0.001°
• Cell volume: 1085.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes