Information card for entry 4106915

Structure parameters

• Formula: C76 H75 N4 O8
• Calculated formula: C76 H75 N4 O8
• 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: 14.677 ± 0.004 Å
• b: 14.833 ± 0.004 Å
• c: 17.768 ± 0.005 Å
• α: 111.834 ± 0.004°
• β: 91.375 ± 0.004°
• γ: 113.717 ± 0.004°
• Cell volume: 3218.1 ± 1.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0768
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No