Information card for entry 2020545

Structure parameters

• Chemical name: 2,6-Difluorocinnamic acid‒3,4-bis(2,6-difluorophenyl)cyclobutane-1,2-dicarboxylic acid (0.858/0.071)
• Formula: C9 H6 F2 O2
• Calculated formula: C9 H6 F2 O2
• Title of publication: Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions
• Authors of publication: Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 593 - 599
• a: 3.886 ± 0.0006 Å
• b: 19.185 ± 0.004 Å
• c: 11.1567 ± 0.0014 Å
• α: 90°
• β: 92.873 ± 0.014°
• γ: 90°
• Cell volume: 830.7 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1304
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes