Information card for entry 7053588

Structure parameters

• Common name: trans-2,3,4,5,6-pentafluoro-4'-dimethylamino-stilbene
• Chemical name: trans-2,3,4,5,6-pentafluoro-4'-dimethylamino-stilbene
• Formula: C16 H12 F5 N
• Calculated formula: C16 H12 F5 N
• SMILES: Fc1c(c(F)c(F)c(F)c1F)/C=C/c1ccc(N(C)C)cc1
• Title of publication: Novel fluorinated amino-stilbenes and their solid-state photodimerization
• Authors of publication: Papagni, Antonio; Buttero, Paola Del; Bertarelli, Chiara; Miozzo, Luciano; Moret, Massimo; Pryce, Mary T.; Rizzato, Silvia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2612
• a: 6.3683 ± 0.0004 Å
• b: 30.029 ± 0.002 Å
• c: 7.2921 ± 0.0005 Å
• α: 90°
• β: 95.933 ± 0.002°
• γ: 90°
• Cell volume: 1387.03 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No