Information card for entry 7114178

Structure parameters

• Formula: C17.5 H30 F6 N O6.5 P
• Calculated formula: C17.5 H30 F6 N O6.5 P
• Title of publication: Stable supramolecular dimer of self-complementary benzo-18-crown-6 with a pendant protonated amino armElectronic supplementary information (ESI) available: synthetic procedures, NMR and X-ray diffraction data. See http://www.rsc.org/suppdata/cc/b2/b209235b/
• Authors of publication: Kryatova, Olga P.; Kryatov, Sergey V.; Staples, Richard J.; Rybak-Akimova, Elena V.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 3014
• a: 24.348 ± 0.006 Å
• b: 7.9883 ± 0.0018 Å
• c: 24.881 ± 0.006 Å
• α: 90°
• β: 110.589 ± 0.005°
• γ: 90°
• Cell volume: 4530.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1782
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2493
• Weighted residual factors for all reflections included in the refinement: 0.2847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No