Information card for entry 7109450

Structure parameters

• Formula: C38 H39 F12 N5 O P2
• Calculated formula: C38 H39 F12 N5 O P2
• Title of publication: Novel benzimidazolium-urea-based macrocyclic fluorescent sensors: synthesis, ratiometric sensing of H2PO4^-^ and improvement of the anion binding performance via a synergistic binding strategy
• Authors of publication: Dawei Zhang; Xiaozhi Jiang; Haiqiang Yang; Zhao Su; Enqing Gao; Alexandre Martinez; Guohua Gao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6149
• a: 11.3419 ± 0.0014 Å
• b: 12.6176 ± 0.0016 Å
• c: 15.066 ± 0.0019 Å
• α: 71.396 ± 0.002°
• β: 80.156 ± 0.002°
• γ: 86.887 ± 0.002°
• Cell volume: 2013.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1378
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2364
• Weighted residual factors for all reflections included in the refinement: 0.2946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No