Information card for entry 4107025

Structure parameters

• Formula: C386.19 H350.19 Cl6.56 N30 Zn6
• Calculated formula: C386.188 H350.188 Cl6.564 N30 Zn6
• Title of publication: Belt-Shaped π-Systems: Relating Geometry to Electronic Structure in a Six-Porphyrin Nanoring
• Authors of publication: Johannes K. Sprafke; Dmitry V. Kondratuk; Michael Wykes; Amber L. Thompson; Markus Hoffmann; Rokas Drevinskas; Wei-Hsin Chen; Chaw Keong Yong; Joakim Kärnbratt; Joseph E. Bullock; Marc Malfois; Michael R. Wasielewski; Bo Albinsson; Laura M. Herz; Donatas Zigmantas; David Beljonne; Harry L. Anderson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17262 - 17273
• a: 59.31 ± 0.005 Å
• b: 25.141 ± 0.003 Å
• c: 31.05 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 46299 ± 9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections: 0.2626
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9235
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No