Information card for entry 7104388

Structure parameters

• Formula: C43 H42 Cl N5 O2
• Calculated formula: C43 H42 Cl N5 O2
• Title of publication: Protonation activates anion binding and alters binding selectivity in new inherently fluorescent 2,6-bis(2-anilinoethynyl)pyridine bisureas.
• Authors of publication: Carroll, Calden N; Berryman, Orion B; Johnson, 2nd, Charles A; Zakharov, Lev N; Haley, Michael M; Johnson, Darren W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 2520 - 2522
• a: 12.237 ± 0.002 Å
• b: 17.221 ± 0.003 Å
• c: 20.026 ± 0.003 Å
• α: 107.216 ± 0.003°
• β: 101.613 ± 0.004°
• γ: 103.09 ± 0.004°
• Cell volume: 3759.5 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2513
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No