Information card for entry 7160522

Structure parameters

• Formula: C28 H19 Cl O3
• Calculated formula: C28 H19 Cl O3
• Title of publication: Metal-free, visible-light-mediated phototransformations of <i>ortho</i>-biaryl appended chalcones: access to oxathia[5]helicenes and 1,2,3,4-tetrasubstituted cyclobutanes.
• Authors of publication: Zakharov, A. V.; Evsikova, E. E.; Grebennikova, P. D.; Krylova, M. A.; Fakhrutdinov, A. N.; Shirinian, V. Z.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 5182 - 5190
• a: 4.4365 ± 0.0001 Å
• b: 11.7816 ± 0.0002 Å
• c: 40.0556 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2093.67 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No