Information card for entry 7229857

Structure parameters

• Chemical name: 2,3,5,6-tetrafluoroaniline and 18-crown-6 2:1 associate
• Formula: C24 H30 F8 N2 O6
• Calculated formula: C24 H30 F8 N2 O6
• SMILES: c1(c(F)cc(c(c1N)F)F)F.C1OCCOCCOCCOCCOCCOC1.c1(c(c(cc(c1F)F)F)F)N
• 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: 8.5736 ± 0.0003 Å
• b: 9.9242 ± 0.0004 Å
• c: 10.1058 ± 0.0005 Å
• α: 117.412 ± 0.002°
• β: 103.573 ± 0.002°
• γ: 100.167 ± 0.002°
• Cell volume: 700.49 ± 0.06 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No