Information card for entry 1508102

Structure parameters

• Formula: C106 H117 F24 N7 O16 P4 S8
• Calculated formula: C106 H117 F24 N7 O16 P4 S8
• Title of publication: Highly stable tetrathiafulvalene radical dimers in [3]catenanes.
• Authors of publication: Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 870 - 879
• a: 11.144 ± 0.004 Å
• b: 14.355 ± 0.005 Å
• c: 19.592 ± 0.008 Å
• α: 86.784 ± 0.013°
• β: 87.155 ± 0.015°
• γ: 75.382 ± 0.013°
• Cell volume: 3026 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.2382
• Residual factor for significantly intense reflections: 0.1986
• Weighted residual factors for significantly intense reflections: 0.4989
• Weighted residual factors for all reflections included in the refinement: 0.5256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No