Information card for entry 7228119

Structure parameters

• Formula: C18 H14 N2 O3
• Calculated formula: C18 H14 N2 O3
• SMILES: O=C(Nc1ccc(c2ccc(C(=O)O)cc2)cc1)c1[nH]ccc1
• Title of publication: Fluorescent detection of multiple ions by two related chemosensors: structural elucidations and logic gate applications
• Authors of publication: Kumar, Vijay; Kumar, Pramod; Gupta, Rajeev
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 37
• Pages of publication: 23127
• a: 16.795 ± 0.002 Å
• b: 4.9853 ± 0.0007 Å
• c: 18.303 ± 0.003 Å
• α: 90°
• β: 108.387 ± 0.014°
• γ: 90°
• Cell volume: 1454.2 ± 0.4 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: 0.1605
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No