Information card for entry 7034355

Structure parameters

• Formula: C35 H35 N5 O4
• Calculated formula: C35 H35 N5 O4
• SMILES: N(=O)(=O)c1ccccc1/C=N/N1C(=O)c2ccccc2C21c1ccc(N(CC)CC)cc1Oc1cc(N(CC)CC)ccc21
• Title of publication: A rhodamine-based 'turn-on' Al(3+) ion-selective reporter and the resultant complex as a secondary sensor for F(-) ion are applicable to living cell staining.
• Authors of publication: Sen, Buddhadeb; Mukherjee, Manjira; Banerjee, Samya; Pal, Siddhartha; Chattopadhyay, Pabitra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8708 - 8717
• a: 9.738 ± 0.002 Å
• b: 11.472 ± 0.003 Å
• c: 15.671 ± 0.004 Å
• α: 80.149 ± 0.004°
• β: 80.41 ± 0.004°
• γ: 65.723 ± 0.003°
• Cell volume: 1563.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0919
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No