Information card for entry 7245591

Structure parameters

• Formula: C21 H19 F3 N2 O6 S
• Calculated formula: C21 H19 F3 N2 O6 S
• Title of publication: Efficient fluorescent recognition of ATP/GTP by a water-soluble bisquinolinium pyridine-2,6-dicarboxamide compound. Crystal structures, spectroscopic studies and interaction mode with DNA
• Authors of publication: Viviano-Posadas, Alejandro O.; Romero-Mendoza, Ulises; Bazany-Rodríguez, Iván J.; Velázquez-Castillo, Rocío V.; Martínez-Otero, Diego; Bautista-Renedo, Joanatan M.; González-Rivas, Nelly; Galindo-Murillo, Rodrigo; Salomón-Flores, María K.; Dorazco-González, Alejandro
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 43
• Pages of publication: 27826 - 27838
• a: 9.3162 ± 0.0002 Å
• b: 15.1106 ± 0.0004 Å
• c: 15.1042 ± 0.0004 Å
• α: 90°
• β: 93.2292 ± 0.0018°
• γ: 90°
• Cell volume: 2122.89 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0429
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No