Information card for entry 4318076

Structure parameters

• Common name: H4 DPD
• Formula: C80 H83 N8 O2
• Calculated formula: C79 H80 N8 O2
• Title of publication: Structural, Spectroscopic, and Reactivity Comparison of Xanthene- and Dibenzofuran-Bridged Cofacial Bisporphyrins
• Authors of publication: Christopher J. Chang; Erin A. Baker; Bradford J. Pistorio; Yongqi Deng; Zhi-Heng Loh; Scott E. Miller; Scott D. Carpenter; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3102 - 3109
• a: 22.666 ± 0.002 Å
• b: 13.6749 ± 0.0014 Å
• c: 42.084 ± 0.004 Å
• α: 90°
• β: 94.554 ± 0.002°
• γ: 90°
• Cell volume: 13003 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No