Information card for entry 7242222

Structure parameters

• Formula: C12 H14 Cl N O2
• Calculated formula: C12 H14 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: 5.7548 ± 0.0003 Å
• b: 10.5744 ± 0.0005 Å
• c: 10.5916 ± 0.0006 Å
• α: 110.243 ± 0.005°
• β: 102.912 ± 0.005°
• γ: 100.879 ± 0.005°
• Cell volume: 563.94 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No