Information card for entry 4345309

Structure parameters

• Formula: C34 H24 Al N8 O6
• Calculated formula: C34 H24 Al N8 O6
• SMILES: [Al]1234(OC(=N[N]3=Cc3c(O1)nc1c(c3)ccc(OC)c1)c1ccncc1)Oc1nc3c(cc1C=[N]4N=C(O2)c1ccncc1)ccc(OC)c3
• 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: 16.1557 ± 0.0018 Å
• b: 16.9686 ± 0.0019 Å
• c: 18.876 ± 0.002 Å
• α: 90.062 ± 0.003°
• β: 68.455 ± 0.003°
• γ: 63.664 ± 0.003°
• Cell volume: 4229.2 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1836
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2359
• Weighted residual factors for all reflections included in the refinement: 0.2645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No