Information card for entry 7112888

Structure parameters

• Common name: TTF-DIQPO4
• Formula: C208 H284 N20 O19 P4 S24
• Calculated formula: C208 H284 N20 O19 P4 S24
• Title of publication: Tetrathiafulvalene diindolylquinoxaline: a dual signaling anion receptor with phosphate selectivity.
• Authors of publication: Bejger, Christopher; Park, Jung Su; Silver, Eric S.; Sessler, Jonathan L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 7745 - 7747
• a: 15.186 ± 0.003 Å
• b: 16.853 ± 0.003 Å
• c: 25.923 ± 0.005 Å
• α: 92.706 ± 0.005°
• β: 90.213 ± 0.005°
• γ: 91.252 ± 0.005°
• Cell volume: 6625 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1805
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No