Information card for entry 2200636

Structure parameters

• Chemical name: octafluoronaphthalene : 1,8-diaminonaphthalene (1/1)
• Formula: C20 H10 F8 N2
• Calculated formula: C20 H10 F8 N2
• SMILES: c1(c(c(c(c2c(c(c(c(c12)F)F)F)F)F)F)F)F.c1(cccc2cccc(c12)N)N
• Title of publication: Octafluoronaphthalene‒1,8-diaminonaphthalene (1/1)
• Authors of publication: Batsanov, Andrei S.; Collings, Jonathan C.; Howard, Judith A. K.; Marder, Todd B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o950 - o952
• a: 7.309 ± 0.001 Å
• b: 8.541 ± 0.001 Å
• c: 13.412 ± 0.001 Å
• α: 90°
• β: 96.89 ± 0.01°
• γ: 90°
• Cell volume: 831.21 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes