Information card for entry 7229855

Structure parameters

• Chemical name: 4-cyano-2,3,5,6-tetrafluoroaniline 18-crown-6 2:1 associate
• Formula: C26 H28 F8 N4 O6
• Calculated formula: C26 H27.532 F8 N4 O6
• Title of publication: Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties
• Authors of publication: Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 6
• Pages of publication: 807
• a: 14.55 ± 0.012 Å
• b: 11.592 ± 0.012 Å
• c: 34.58 ± 0.03 Å
• α: 90°
• β: 90.11 ± 0.03°
• γ: 90°
• Cell volume: 5832 ± 9 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: 0.1935
• Residual factor for significantly intense reflections: 0.151
• Weighted residual factors for significantly intense reflections: 0.4463
• Weighted residual factors for all reflections included in the refinement: 0.4817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No