Information card for entry 7114410

Structure parameters

• Chemical name: 1,2-bis(2-isopropyl-4-methyl-5-methoxyphenyl-3-thienyl)perfluorocyclopentene
• Formula: C35 H34 F6 O2 S2
• Calculated formula: C35 H34 F6 O2 S2
• Title of publication: Single-crystalline photochromism of diarylethenes: reactivity???structure relationshipElectronic supplementary information (ESI) available: X-ray crystallographic data for 2a, 3a and 4a. See http://www.rsc.org/suppdata/cc/b2/b208419h/
• Authors of publication: Kobatake, Seiya; Uchida, Kingo; Tsuchida, Eriko; Irie, Masahiro
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2804
• a: 13.5668 ± 0.0011 Å
• b: 14.7276 ± 0.0012 Å
• c: 18.0976 ± 0.0014 Å
• α: 90°
• β: 111.948 ± 0.001°
• γ: 90°
• Cell volume: 3353.9 ± 0.5 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No