Information card for entry 7242219

Structure parameters

• Formula: C12 H16 Cl N O2
• Calculated formula: C12 H16 Cl N O2
• Title of publication: A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
• Authors of publication: Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 2336 - 2351
• a: 6.099 ± 0.0001 Å
• b: 7.7041 ± 0.0001 Å
• c: 25.2722 ± 0.0004 Å
• α: 90°
• β: 94.075 ± 0.002°
• γ: 90°
• Cell volume: 1184.47 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No