Information card for entry 1547878

Structure parameters

• Formula: C30 H26 F9 O9 S3 Y
• Calculated formula: C30 H26 F9 O9 S3 Y
• SMILES: [Y]1234([O](CC[O]1CCOC)C)(OC(=CC(=[O]2)C(F)(F)F)c1sccc1)([O]=C(C=C(O3)C(F)(F)F)c1sccc1)OC(=CC(=[O]4)C(F)(F)F)c1sccc1
• Title of publication: Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.
• Authors of publication: Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 325 - 335
• a: 10.5124 ± 0.0003 Å
• b: 18.3614 ± 0.0005 Å
• c: 18.9788 ± 0.0005 Å
• α: 90°
• β: 98.264 ± 0.002°
• γ: 90°
• Cell volume: 3625.29 ± 0.17 ų
• Cell temperature: 180 ± 0.14 K
• Ambient diffraction temperature: 180 ± 0.14 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: 0.075
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No