Information card for entry 7102946

Structure parameters

• Formula: C73 H25 Cl9 F24 S4
• Calculated formula: C73 H25 Cl9.003 F24 S4
• Title of publication: pi-Conjugated macrocycles from thiophenes and benzenes.
• Authors of publication: Sreedhar Reddy, J; Anand, Venkataramanarao G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1326 - 1328
• a: 19.7374 ± 0.0004 Å
• b: 19.0689 ± 0.0004 Å
• c: 22.0855 ± 0.0005 Å
• α: 90°
• β: 114.818 ± 0.001°
• γ: 90°
• Cell volume: 7544.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No