Information card for entry 7130816

Structure parameters

• Formula: C16 H22 F3 N O8 S
• Calculated formula: C16 H22 F3 N O8 S
• Title of publication: Acidochromism of donor-acceptor Stenhouse adducts in organic solvent.
• Authors of publication: Fiorentino, Antonio; Sachini, Brian; Corra, Stefano; Credi, Alberto; Femoni, Cristina; Fraix, Aurore; Silvi, Serena
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 80
• Pages of publication: 11236 - 11239
• a: 8.9554 ± 0.0008 Å
• b: 21.609 ± 0.002 Å
• c: 10.7441 ± 0.0011 Å
• α: 90°
• β: 101.285 ± 0.003°
• γ: 90°
• Cell volume: 2039 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No