Information card for entry 7105621

Structure parameters

• Chemical name: 1,2-bis(2-methyl-5-nitro-1-benzothiophen-3-yl)perfluorocyclopentene
• Formula: C23 H12 F6 N2 O4 S2
• Calculated formula: C23 H12 F6 N2 O4 S2
• Title of publication: Photoinduced micropatterning by polymorphic crystallization of a photochromic diarylethene in a polymer film.
• Authors of publication: Kitagawa, Daichi; Yamashita, Itsuka; Kobatake, Seiya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 3723 - 3725
• a: 32.1473 ± 0.0015 Å
• b: 32.1473 ± 0.0015 Å
• c: 11.6175 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10397.6 ± 1 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No