Information card for entry 4101354

Structure parameters

• Formula: C69.5 H85.1 Cl1.5 N3 O9
• Calculated formula: C69.398 H63.5 Cl1.5 N3 O9
• Title of publication: Two-dimensional electronic conjugation: cooperative folding and fluorescence switching.
• Authors of publication: Jiang, Xuan; Bollinger, John C; Lee, Dongwhan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 36
• Pages of publication: 11732 - 11733
• a: 19.775 ± 0.004 Å
• b: 19.775 ± 0.004 Å
• c: 29.273 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9914 ± 4 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No