Information card for entry 4130093

Structure parameters

• Formula: C24 H18 F6 N2 O8 S2
• Calculated formula: C24 H18 F6 N2 O8 S2
• Title of publication: Mechanogeneration of Acid from Oxime Sulfonates.
• Authors of publication: Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 8
• Pages of publication: 2540 - 2543
• a: 9.1636 ± 0.0004 Å
• b: 11.8078 ± 0.0005 Å
• c: 25.3656 ± 0.001 Å
• α: 95.096 ± 0.002°
• β: 100.04 ± 0.002°
• γ: 90.1 ± 0.002°
• Cell volume: 2691.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No