Information card for entry 7228980

Structure parameters

• Formula: C14 H7 F3 N2 O S
• Calculated formula: C14 H7 F3 N2 O S
• Title of publication: Synthesis and characterization of fluorophthalocyanines bearing four 2-(2-thienyl)ethoxy moieties: from the optimization of the fluorine substitution to chemosensing
• Authors of publication: Wannebroucq, Amélie; Meunier-Prest, Rita; Chambron, Jean-Claude; Brachais, Claire-Hélène; Suisse, Jean-Moïse; Bouvet, Marcel
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 65
• Pages of publication: 41272
• a: 10.9995 ± 0.0008 Å
• b: 12.9029 ± 0.0008 Å
• c: 10.0701 ± 0.0007 Å
• α: 90°
• β: 111.081 ± 0.002°
• γ: 90°
• Cell volume: 1333.55 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No