Information card for entry 7046621

Structure parameters

• Chemical name: (5,6:11,12-di-o-phenylenetetracene)-potassium-di(benzo-15-crown-5)
• Formula: C58 H56 K O10
• Calculated formula: C58 H56 K O10
• Title of publication: Complete charge separation provoked by full cation encapsulation in the radical mono- and di-anions of 5,6:11,12-di-o-phenylene-tetracene.
• Authors of publication: Wombacher, Tobias; Goddard, Richard; Lehmann, Christian W.; Schneider, Jörg J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 10874 - 10883
• a: 11.0923 ± 0.0003 Å
• b: 13.0606 ± 0.0003 Å
• c: 16.7307 ± 0.0004 Å
• α: 82.9084 ± 0.001°
• β: 80.241 ± 0.0009°
• γ: 76.9312 ± 0.001°
• Cell volume: 2317.7 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No