Information card for entry 7134030

Structure parameters

• Formula: C17 H15 Cl O3
• Calculated formula: C17 H15 Cl O3
• Title of publication: Visible Light-Mediated Formal Alkylation and [4+1]-Cycloaddition Strategies of Silyl Enol Ethers with Aryldiazoacetates
• Authors of publication: Cariello, Guilherme; Gallo, Rafael D. C.; Deflon, Victor Marcelo; Cormanich, Rodrigo A.; Jurberg, Igor D.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.8616 ± 0.0007 Å
• b: 17.3612 ± 0.0011 Å
• c: 8.0514 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1518.26 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No