Information card for entry 7114924

Structure parameters

• Chemical name: Decafluoro-distyrylistilbene
• Formula: C30 H14 F10
• Calculated formula: C30 H14 F10
• SMILES: c1cc(/C=C/c2c(c(c(c(c2F)F)F)F)F)ccc1/C=C/c1ccc(/C=C/c2c(c(c(c(c2F)F)F)F)F)cc1
• Title of publication: Synthesis and structure of 4,4′-bis(2,3,4,5,6-pentafluorostyryl)stilbene, a self-assembling J aggregate based on aryl–fluoroaryl interactions
• Authors of publication: Feast, W. James; Lövenich, P. Wilfried; Puschmann, Horst; Taliani, Carlo
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 505
• a: 6.0624 ± 0.0009 Å
• b: 7.4468 ± 0.0011 Å
• c: 13.0565 ± 0.0017 Å
• α: 78.442 ± 0.005°
• β: 82.972 ± 0.006°
• γ: 85.693 ± 0.005°
• Cell volume: 572.37 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1516
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No