Information card for entry 7157332

Structure parameters

• Formula: C20 H18 F3 N3
• Calculated formula: C20 H18 F3 N3
• Title of publication: π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.
• Authors of publication: Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1657 - 1670
• a: 14.409 ± 0.002 Å
• b: 7.2189 ± 0.001 Å
• c: 17.976 ± 0.003 Å
• α: 90°
• β: 107.935 ± 0.007°
• γ: 90°
• Cell volume: 1779 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No