Information card for entry 7106805

Structure parameters

• Formula: C31 H23 F6 N S2
• Calculated formula: C31 H23 F6 N S2
• Title of publication: Photochemical control of a highly efficient addition reaction between electron-rich alkynes and tetracyanoethylene
• Authors of publication: Masakazu Morimoto; Kimie Murata; Tsuyoshi Michinobu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9819
• a: 11.2172 ± 0.001 Å
• b: 14.1305 ± 0.0012 Å
• c: 18.2407 ± 0.0016 Å
• α: 73.899 ± 0.001°
• β: 82.837 ± 0.002°
• γ: 77.215 ± 0.001°
• Cell volume: 2702.8 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No