Information card for entry 7224053

Structure parameters

• Formula: C35 H36 N4 O5
• Calculated formula: C35 H36 N4 O5
• SMILES: O1c2c(C3(N(c4c(OC)cc(N(=O)=O)cc4)C(=O)c4c3cccc4)c3c1cc(N(CC)CC)cc3)ccc(N(CC)CC)c2
• Title of publication: A Chemosensor for Al3+ Ion in Aqueous Ethanol Medium: Photophysical and Live Cell Imaging Studies
• Authors of publication: Chatterjee, Nabanita; Maity, Shubhra Bikash; Samadder, Asmita; Mukherjee, Puspal; Khuda-Bukhsh, Anisur Rahman; Bharadwaj, Parimal K.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.376 ± 0.003 Å
• b: 12.051 ± 0.004 Å
• c: 14.783 ± 0.005 Å
• α: 70.869 ± 0.006°
• β: 74.94 ± 0.005°
• γ: 78.883 ± 0.006°
• Cell volume: 1513.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No