Information card for entry 4107905

Structure parameters

• Formula: C71 H19 B2 F40 N O
• Calculated formula: C71 H19 B2 F40 N O
• Title of publication: Pyrylogens: Synthesis, Structural, Electrochemical, and Photophysical Characterization of a New Class of Electron Transfer Sensitizers
• Authors of publication: Edward L. Clennan; Chen Liao; Erambo Ayokosok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7552 - 7553
• a: 19.306 ± 0.003 Å
• b: 16.092 ± 0.003 Å
• c: 21.832 ± 0.004 Å
• α: 90°
• β: 108.852 ± 0.008°
• γ: 90°
• Cell volume: 6419 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1047
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No