Information card for entry 4103833

Structure parameters

• Formula: C17 H21 F6 N2 P S2
• Calculated formula: C17 H21 F6 N2 P S2
• Title of publication: Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes
• Authors of publication: Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 912 - 913
• a: 9.006 ± 0.0018 Å
• b: 20.473 ± 0.004 Å
• c: 11.705 ± 0.002 Å
• α: 90°
• β: 109.54 ± 0.03°
• γ: 90°
• Cell volume: 2033.9 ± 0.8 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No