Information card for entry 7220158

Structure parameters

• Formula: C20 H15 N O
• Calculated formula: C20 H15 N O
• SMILES: N(=C\c1c(O)cccc1)/c1cc2c(c3ccccc3C2)cc1
• Title of publication: Selective fluorometric detection of F− and Zn(II) ions by N, O coordinating sensor and naked eye detection of Cu(II) ion in mixed-aqueous solution
• Authors of publication: Hens, Amar; Rajak, Kajal Krishna
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 16.0198 ± 0.0004 Å
• b: 8.2129 ± 0.0002 Å
• c: 11.1102 ± 0.0003 Å
• α: 90°
• β: 97.047 ± 0.001°
• γ: 90°
• Cell volume: 1450.72 ± 0.06 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No