Information card for entry 1519223

Structure parameters

• Formula: C48 H52 F6 N2 O11
• Calculated formula: C48 H52 F6 N2 O10.6
• Title of publication: 4,13-bis(2-(9-Anthryloxy)ethyl)-4,13-diazonia-[18]crown-6 bis(trifluoroacetate) monohydrate
• Authors of publication: Hursthouse, Michael B.; Coles, Simon J.; Desvergne, J. -P.; Bouas-Laurent, H.; Tucker, J. H. R.; McSkimming, G.; Light, Mark E.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 92
• a: 11.352 ± 0.002 Å
• b: 12.894 ± 0.003 Å
• c: 17.223 ± 0.003 Å
• α: 68.61 ± 0.03°
• β: 83.13 ± 0.03°
• γ: 80.13 ± 0.03°
• Cell volume: 2308.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No