Information card for entry 7129463

Structure parameters

• Formula: C16 H16 F N O2
• Calculated formula: C16 H16 F N O2
• Title of publication: Cobalt-Catalyzed Direct α-Hydroxymethylation of Amides with Methanol as a C1 Source
• Authors of publication: Ma, Ben; Sun, Rong-Xia; Yang, Jingya
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 18.0338 ± 0.0003 Å
• b: 11.1597 ± 0.00019 Å
• c: 14.0652 ± 0.0003 Å
• α: 90°
• β: 97.5402 ± 0.0018°
• γ: 90°
• Cell volume: 2806.17 ± 0.09 ų
• Cell temperature: 302.01 ± 0.1 K
• Ambient diffraction temperature: 302.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No