Information card for entry 4106916

Structure parameters

• Formula: C106 H160 N6 O5.5
• Calculated formula: C104 H156 N6 O5
• Title of publication: Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols
• Authors of publication: Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16119 - 16126
• a: 19.3034 ± 0.0008 Å
• b: 11.7118 ± 0.0004 Å
• c: 43.8395 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9911.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2651
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No