Information card for entry 7050016

Structure parameters

• Formula: C23 H14 F6 N4 S2
• Calculated formula: C23 H14 F6 N4 S2
• Title of publication: Synthesis and photochromism of two new 1,2-bis(thiazolyl)perfluorocyclopentenes with chelating sites
• Authors of publication: Marion Giraud; Anne Léaustic; Marie-France Charlot; Pei Yu; Michèle Césario; Christian Philouze; Robert Pansu; Keitaro Nakatani; Eléna Ishow
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 439
• a: 16.492 ± 0.006 Å
• b: 8.379 ± 0.003 Å
• c: 16.79 ± 0.007 Å
• α: 90°
• β: 93.52 ± 0.04°
• γ: 90°
• Cell volume: 2315.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0749
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections: 0.869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No