Information card for entry 7221556

Structure parameters

• Formula: C31 H32 N4 O2
• Calculated formula: C31 H32 N4 O2
• SMILES: Oc1c(C(=N\Cc2ncccc2)\C)cc(C)cc1Cc1cc(C)cc(c1O)/C(=N/Cc1ncccc1)C
• Title of publication: Synthesis and Characterization of a Novel, Ditopic, Reversible and Highly Selective “Turn-On” Fluorescent Chemosensor for Al3+ Ion
• Authors of publication: Singh, Akhilesh Kumar; Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Chakraborty, Ayon; Biswas, Ashis
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.0342 ± 0.0016 Å
• b: 11.9408 ± 0.0015 Å
• c: 16.232 ± 0.002 Å
• α: 90°
• β: 96.921 ± 0.003°
• γ: 90°
• Cell volume: 2507.9 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No