Information card for entry 1515863

Structure parameters

• Formula: C66 H76 F24 N12 O4 P4
• Calculated formula: C66 H76 F24 N12 O4 P4
• Title of publication: Enabling tetracationic cyclophane production by trading templates
• Authors of publication: Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 119
• a: 13.8458 ± 0.0015 Å
• b: 22.974 ± 0.003 Å
• c: 13.2064 ± 0.0015 Å
• α: 90°
• β: 116.74 ± 0.007°
• γ: 90°
• Cell volume: 3751.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No