Information card for entry 1506839

Structure parameters

• Formula: C22 H24 F9 N O S
• Calculated formula: C22 H24 F9 N O S
• SMILES: S(F)(F)(F)(F)(F)C(F)(F)C(F)(F)c1ccc(/N=C/c2ccc(OCCCCCCC)cc2)cc1
• Title of publication: SF5-Terminated Fluorinated Schiff Base Liquid Crystals
• Authors of publication: Smith, Jeremy A.; DiStasio, Robert A.; Hannah, Nicole A.; Winter, Rolf W.; Weakley, Timothy J. R.; Gard, Gary L.; Rananavare, Shankar B.
• Journal of publication: The Journal of Physical Chemistry B
• Year of publication: 2004
• Journal volume: 108
• Journal issue: 52
• Pages of publication: 19940
• a: 18.849 ± 0.004 Å
• b: 5.5418 ± 0.0007 Å
• c: 22.618 ± 0.003 Å
• α: 90°
• β: 96.956 ± 0.013°
• γ: 90°
• Cell volume: 2345.2 ± 0.7 ų
• Cell temperature: 221 K
• Ambient diffraction temperature: 221 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections: 1.42
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No