Information card for entry 7102650

Structure parameters

• Common name: Compound 1
• Chemical name: Compound 1
• Formula: C57.5 H17.5 Cl4.5 F20 N4 O8
• Calculated formula: C57.5 H17.5 Cl4.5 F20 N4 O8
• Title of publication: Imide linked "4 + 4" macrocycles formed by condensation of isophthaloyl dichloride and tetra- or penta-fluoroaniline.
• Authors of publication: Evans, Louise S; Gale, Philip A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1286 - 1287
• a: 14.6087 ± 0.0005 Å
• b: 31.9021 ± 0.0015 Å
• c: 24.1559 ± 0.001 Å
• α: 90°
• β: 98.01 ± 0.002°
• γ: 90°
• Cell volume: 11148 ± 0.8 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 393 ± 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: 0.1357
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2357
• Weighted residual factors for all reflections included in the refinement: 0.2759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No