Information card for entry 2208314

Structure parameters

• Chemical name: 1,2-Difluorophenyl 4-vinylphenyl sulfone
• Formula: C14 H10 F2 O2 S
• Calculated formula: C14 H10 F2 O2 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C=C)c1cc(F)c(F)cc1
• Title of publication: 1,2-Difluorophenyl 4-vinylphenyl sulfone
• Authors of publication: Purdy, Andrew P.; Jarchow-Choy, Sarah K.; Gilardi, Richard D.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o992 - o994
• a: 12.255 ± 0.004 Å
• b: 7.819 ± 0.003 Å
• c: 14.148 ± 0.005 Å
• α: 90°
• β: 114.912 ± 0.006°
• γ: 90°
• Cell volume: 1229.5 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No