Information card for entry 4103832

Structure parameters

• Formula: C32 H36 N4 S4
• Calculated formula: C32 H36 N4 S4
• 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: 11.035 ± 0.002 Å
• b: 10.918 ± 0.002 Å
• c: 25.983 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3130.4 ± 1 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No