Information card for entry 1569188

Structure parameters

• Formula: C22 H16 F N3 O2
• Calculated formula: C22 H16 F N3 O2
• SMILES: O=C1N(C(=O)c2c3c1cc1c(nnc4c1cc(F)cc4)c3ccc2)CCCC
• Title of publication: Unprecedented perspectives on the application of CinNapht fluorophores provided by a "late-stage" functionalization strategy.
• Authors of publication: Tacke, Eléonore; Hoang, Minh-Duc; Tatoueix, Kevin; Keromnes, Benoît; Van Eslande, Elsa; Durand, Philippe; Pieters, Gregory; Chevalier, Arnaud
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 6000 - 6010
• a: 4.8187 ± 0.0004 Å
• b: 15.7239 ± 0.0018 Å
• c: 22.4752 ± 0.0016 Å
• α: 90°
• β: 91.507 ± 0.005°
• γ: 90°
• Cell volume: 1702.3 ± 0.3 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2014
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2397
• Weighted residual factors for all reflections included in the refinement: 0.3593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No