Information card for entry 7055853

Structure parameters

• Formula: C7 H7 N O3
• Calculated formula: C7 H7 N O3
• SMILES: c1cc([nH]c(=O)c1C(=O)O)C
• Title of publication: Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch
• Authors of publication: Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 10378
• a: 7.39817 ± 0.00015 Å
• b: 13.0179 ± 0.0002 Å
• c: 14.3767 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1384.6 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No