Information card for entry 7229854

Structure parameters

• Chemical name: 4-aminotetrafluoropyridine
• Formula: C5 H2 F4 N2
• Calculated formula: C5 H2 F4 N2
• SMILES: n1c(c(c(N)c(c1F)F)F)F
• 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: 6.1047 ± 0.0007 Å
• b: 13.2859 ± 0.0011 Å
• c: 7.4684 ± 0.0009 Å
• α: 90°
• β: 94.767 ± 0.006°
• γ: 90°
• Cell volume: 603.64 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No