Information card for entry 7130817

Structure parameters

• Formula: C16 H22 F3 N3 O7 S
• Calculated formula: C16 H22 F3 N3 O7 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: 10.2011 ± 0.0018 Å
• b: 12.202 ± 0.002 Å
• c: 16.775 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2088 ± 0.6 ų
• Cell temperature: 77 ± 2 K
• Ambient diffraction temperature: 77 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1886
• Residual factor for significantly intense reflections: 0.1399
• Weighted residual factors for significantly intense reflections: 0.2854
• Weighted residual factors for all reflections included in the refinement: 0.3109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No