Information card for entry 7232544

Structure parameters

• Formula: C14 H16 Cl N5 O8
• Calculated formula: C14 H16 Cl N5 O8
• Title of publication: Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts
• Authors of publication: Mandal, Tripti; Dey, Arka; Pathak, Sudipta; Islam, Md. Maidul; Konar, Saugata; Ortega-Castro, Joaquín; Seth, Saikat Kumar; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 17
• Pages of publication: 9663
• a: 12.646 ± 0.005 Å
• b: 12.62 ± 0.005 Å
• c: 11.356 ± 0.005 Å
• α: 90 ± 0.005°
• β: 104.91 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1751.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No