Information card for entry 4345308

Structure parameters

• Formula: C17 H18 N4 O5
• Calculated formula: C17 H18 N4 O5
• SMILES: O(c1cc2c(cc(c(=O)[nH]2)/C=N/NC(=O)c2ccncc2)cc1)C.O.O
• Title of publication: Brightening Quinolineimines by Al(3+) and Subsequent Quenching by PPi/PA in Aqueous Medium: Synthesis, Crystal Structures, Binding Behavior, Theoretical and Cell Imaging Studies.
• Authors of publication: Asthana, Sharad Kumar; Kumar, Ajit; Neeraj, ?; Shweta, ?; Hira, Sumit Kumar; Manna, Partha Pratim; Upadhyay, K. K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3315 - 3323
• a: 6.8846 ± 0.0019 Å
• b: 16.573 ± 0.004 Å
• c: 14.943 ± 0.004 Å
• α: 90°
• β: 98.19 ± 0.03°
• γ: 90°
• Cell volume: 1687.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.121
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No