Information card for entry 4348459

Structure parameters

• Formula: C29 H31 N3 O3
• Calculated formula: C29 H31 N3 O3
• SMILES: c1(c2c(cc(cc2)N(CC)CC)O)nc2c3ccccc3c3c(c2[nH]1)cccc3.O(CC)C(=O)C
• Title of publication: A Highly Sensitive ESIPT-Based Ratiometric Fluorescence Sensor for Selective Detection of Al(3.).
• Authors of publication: Sinha, Sanghamitra; Chowdhury, Bijit; Ghosh, Pradyut
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9212 - 9220
• a: 20.07 ± 0.03 Å
• b: 12.235 ± 0.016 Å
• c: 20.36 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5000 ± 12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No