Information card for entry 4032978

Structure parameters

• Formula: C26 H20 F5 N S
• Calculated formula: C26 H20 F5 N S
• Title of publication: Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.
• Authors of publication: Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 20
• Pages of publication: 11008 - 11020
• a: 26.646 ± 0.002 Å
• b: 8.0632 ± 0.0007 Å
• c: 22.2653 ± 0.0018 Å
• α: 90°
• β: 113.291 ± 0.002°
• γ: 90°
• Cell volume: 4393.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No