Information card for entry 7247652

Structure parameters

• Formula: C45 H57.41 B2 N5 O16.21 S4
• Calculated formula: C45 H57.402 B2 N5 O16.201 S4
• Title of publication: Water-soluble fluorescent chemosensor for sorbitol based on a dicationic diboronic receptor. Crystal structure and spectroscopic studies
• Authors of publication: Zamora-Moreno, Julio; Salomón-Flores, María K.; Valdes-García, Josue; Pinzón-Vanegas, Cristian; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Villamil-Ramos, Raúl; Romero-Solano, Miguel Á.; Dorazco-González, Alejandro
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 46
• Pages of publication: 32185 - 32198
• a: 11.5675 ± 0.0008 Å
• b: 14.3355 ± 0.001 Å
• c: 15.8991 ± 0.0011 Å
• α: 95.8776 ± 0.0014°
• β: 100.612 ± 0.0014°
• γ: 102.337 ± 0.0014°
• Cell volume: 2503.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No