Information card for entry 1505782

Structure parameters

• Formula: C40 H24.4 Cl7.6 O6
• Calculated formula: C40 H24.4 Cl7.6 O6
• Title of publication: Synthesis of a Catechol-Based Poly(ether ether ketone) (“o-PEEK”) by Classical Step-Growth Polymerization and by Entropically Driven Ring-Opening Polymerization of Macrocyclic Oligomers
• Authors of publication: Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.
• Journal of publication: Macromolecules
• Year of publication: 2006
• Journal volume: 39
• Journal issue: 19
• Pages of publication: 6467
• a: 35.831 ± 0.004 Å
• b: 6.1603 ± 0.0008 Å
• c: 17.0632 ± 0.0017 Å
• α: 90°
• β: 90.397 ± 0.008°
• γ: 90°
• Cell volume: 3766.3 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No