Information card for entry 4133052

Structure parameters

• Formula: C15 H20 Cl F N2 O5
• Calculated formula: C15 H20 Cl F N2 O5
• Title of publication: Electrochemical Aminoxyl-Mediated α-Cyanation of Secondary Piperidines for Pharmaceutical Building Block Diversification.
• Authors of publication: Lennox, Alastair J. J.; Goes, Shannon L.; Webster, Matthew P.; Koolman, Hannes F.; Djuric, Stevan W.; Stahl, Shannon S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11227 - 11231
• a: 16.188 ± 0.002 Å
• b: 6.4618 ± 0.0008 Å
• c: 16.639 ± 0.002 Å
• α: 90°
• β: 111.357 ± 0.002°
• γ: 90°
• Cell volume: 1621 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.96 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No