Information card for entry 4111384

Structure parameters

• Formula: C57 H79 F12 N3 O11 P2
• Calculated formula: C57 H79 F12 N3 O11 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1c2ccc(OCCOCCOCCOCCOc3ccc(OCCOCCOCCOCC1)cc3)cc2.O(N1C(CCCC1(C)C)(C)C)C(c1ccc(C[n+]2ccc(c3cc[n+](C)cc3)cc2)cc1)C
• Title of publication: A Supramolecular Triarm Star Polymer from a Homotritopic Tris(Crown Ether) Host and a Complementary Monotopic Paraquat-Terminated Polystyrene Guest by a Supramolecular Coupling Method
• Authors of publication: Feihe Huang; Devdatt S. Nagvekar; Carla Slebodnick; Harry W. Gibson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 484 - 485
• a: 9.9809 ± 0.0012 Å
• b: 14.584 ± 0.002 Å
• c: 25.324 ± 0.004 Å
• α: 93.629 ± 0.012°
• β: 93.227 ± 0.011°
• γ: 104.668 ± 0.012°
• Cell volume: 3548.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1583
• Residual factor for significantly intense reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.2828
• Weighted residual factors for all reflections included in the refinement: 0.3244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No