Information card for entry 1559811

Structure parameters

• Formula: C17 H19 F6 N2 O P
• Calculated formula: C17 H19 F6 N2 O P
• SMILES: O=C(NCCC[n+]1ccc(cc1)c1ccccc1)C=C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Supramolecular hydrogels prepared from fluorescent alkyl pyridinium acrylamide monomers and CB[8]
• Authors of publication: Whitaker, Daniel J.; Huang, Zehuan; Longbottom, Brooke W.; Sala, Renata L.; Wu, Guanglu; Scherman, Oren A.
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 519 - 525
• a: 25.6008 ± 0.0009 Å
• b: 7.0486 ± 0.0002 Å
• c: 21.7397 ± 0.0007 Å
• α: 90°
• β: 114.951 ± 0.001°
• γ: 90°
• Cell volume: 3556.8 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0667
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No