Information card for entry 7108272

Structure parameters

• Formula: C76 H78 F24 N10 O10 P4 S4
• Calculated formula: C76 H78 F24 N10 O10 P4 S4
• Title of publication: Rapid thermally assisted donor-acceptor catenation
• Authors of publication: Albert C. Fahrenbach; Karel J. Hartlieb; Chi-Hau Sue; Carson J. Bruns; Gokhan Barin; Subhadeep Basu; Mark A. Olson; Youssry Y. Botros; Abdulaziz Bagabas; Nezar H. Khdary; J. Fraser Stoddart
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9141
• a: 13.6925 ± 0.0004 Å
• b: 14.1263 ± 0.0004 Å
• c: 28.1027 ± 0.0009 Å
• α: 96.491 ± 0.002°
• β: 103.206 ± 0.002°
• γ: 107.826 ± 0.002°
• Cell volume: 4938.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1759
• Residual factor for significantly intense reflections: 0.1181
• Weighted residual factors for significantly intense reflections: 0.3394
• Weighted residual factors for all reflections included in the refinement: 0.3743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No