Information card for entry 7050015

Structure parameters

• Formula: C11.5 H7 F3 N2 S
• Calculated formula: C11.25 H7 F3 N2 S
• 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: 10.902 ± 0.001 Å
• b: 12.36 ± 0.001 Å
• c: 17.546 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2364.3 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections: 1.987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.987
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No