Information card for entry 7203940

Structure parameters

• Formula: C66 H44 Cl4 O8
• Calculated formula: C66 H40 Cl4 O8
• Title of publication: Macrocyclic oligomers of the aromatic polyetherketone “PK99”: synthesis, fractionation, structural characterisation and ring-opening polymerisation
• Authors of publication: Baxter, Ian; Colquhoun, Howard M.; Hodge, Philip; Kohnke, Franz H.; Lewis, David F.; Williams, David J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 309
• a: 10.8001 ± 0.0009 Å
• b: 11.016 ± 0.0009 Å
• c: 12.4143 ± 0.0009 Å
• α: 107.851 ± 0.005°
• β: 100.953 ± 0.005°
• γ: 96.477 ± 0.007°
• Cell volume: 1356.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections: 0.2081
• Weighted residual factors for significantly intense reflections: 0.1754
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No