Information card for entry 7021683

Structure parameters

• Formula: C26 H19 N O3
• Calculated formula: C26 H19 N O3
• SMILES: Oc1ccc(cc1/C=N/c1ccc2ccc3cccc4ccc1c2c34)C(=O)OCC
• Title of publication: A fluorescence 'turn-on' chemodosimeter for selective detection of Nb(5+) ions in mixed aqueous media.
• Authors of publication: Gupta, Abhishek Kumar; Dhir, Abhimanew; Pradeep, Chullikkattil P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 12819 - 12823
• a: 18.8179 ± 0.0007 Å
• b: 7.2342 ± 0.0003 Å
• c: 14.0484 ± 0.0005 Å
• α: 90°
• β: 101.62 ± 0.002°
• γ: 90°
• Cell volume: 1873.25 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1249
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No