Information card for entry 7150072

Structure parameters

• Formula: C42.26 H53.06 F6 N O12.27 P
• Calculated formula: C42.265 H52.795 F6 N O12.265 P
• Title of publication: Regioselective routes to disubstituted dibenzo crown ethers and their complexations.
• Authors of publication: Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 2114 - 2121
• a: 14.324 ± 0.006 Å
• b: 22.806 ± 0.006 Å
• c: 26.47 ± 0.008 Å
• α: 90°
• β: 97.2 ± 0.03°
• γ: 90°
• Cell volume: 8579 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No