Information card for entry 7218858

Structure parameters

• Formula: C25 H41 F N3 O3.5
• Calculated formula: C25 H41 F N3 O3.5
• SMILES: c12C(=O)C=CC(=N\O)/c1cccn2.C(CCC)[N+](CCC=C)(CCCC)CCCC.[F-].O.O
• Title of publication: Selective interactions of 5-(hydroxyimino)quinolin-8-one with tetrabutylammonium fluoride and zinc(II) ions
• Authors of publication: Baruah, Jubaraj Bikash; Khakhlary, Prithiviraj
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 22.5699 ± 0.0014 Å
• b: 9.4519 ± 0.0007 Å
• c: 26.97 ± 0.0017 Å
• α: 90°
• β: 104.307 ± 0.003°
• γ: 90°
• Cell volume: 5575 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.2106
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.359
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No