Information card for entry 1506675

Structure parameters

• Chemical name: -1-[6-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl) -2-methylbenzo[b]-thiophen-3-yl]- 2-(2-methylbenzo[b]-thiophen-3-yl)hexafluorocyclopentene
• Formula: C30 H25 F6 N2 O2 S2
• Calculated formula: C30 H25 F6 N2 O2 S2
• Title of publication: Effect of imino nitroxyl and nitronyl nitroxyl groups on the photochromic reactivity of diarylethenes.
• Authors of publication: Tanifuji, Naoki; Matsuda, Kenji; Irie, Masahiro
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 3777 - 3780
• a: 12.705 ± 0.002 Å
• b: 19.177 ± 0.003 Å
• c: 11.2498 ± 0.0018 Å
• α: 90°
• β: 94.877 ± 0.003°
• γ: 90°
• Cell volume: 2731 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0924
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No