Information card for entry 7245590

Structure parameters

• Formula: C70 H84 Br4 N10 O19
• Calculated formula: C70 H84 Br4 N10 O19
• 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: 10.0659 ± 0.0001 Å
• b: 11.5585 ± 0.0002 Å
• c: 16.0001 ± 0.0002 Å
• α: 91.9737 ± 0.0005°
• β: 100.254 ± 0.0005°
• γ: 92.6788 ± 0.0005°
• Cell volume: 1828.1 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No