Information card for entry 7105772

Structure parameters

• Formula: C53.27 H47.27 Cl6.82 F3 O3
• Calculated formula: C53.274 H47.274 Cl6.822 F3 O3
• Title of publication: The art of stacking: structural folding and self-assembly of branched p-conjugation assisted by O-H***O and C-H***F hydrogen bonds
• Authors of publication: Ho Yong Lee; Andras Olasz; Maren Pink; Hyunsoo Park; Dongwhan Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 481
• a: 17.1496 ± 0.0012 Å
• b: 17.1496 Å
• c: 33.798 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8608.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2683
• Weighted residual factors for all reflections included in the refinement: 0.296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No