Information card for entry 1564936

Structure parameters

• Formula: C27 H23 N3 O2
• Calculated formula: C27 H23 N3 O2
• SMILES: O(c1cccc(c2n([C@H](c3ncccc3)c3ccccc3)c3c(n2)cccc3)c1O)CC
• Title of publication: A highly emissive Zn(II)-pyridyl-benzimidazolyl-phenolato-based chemosensor: detection of H₂PO₄^-<i>via</i> "use" and "throw" device fabrication.
• Authors of publication: Dey, Sunanda; Paul, Sukanya; Debsharma, Kingshuk; Sinha, Chittaranjan
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 44
• Pages of publication: 5282 - 5292
• a: 9.0805 ± 0.0009 Å
• b: 10.1637 ± 0.001 Å
• c: 23.374 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.2 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1373
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No