Information card for entry 7158130

Structure parameters

• Formula: C17 H17 Cl2 N O
• Calculated formula: C17 H17 Cl2 N O
• SMILES: ClC1(Cl)[C@H](c2ccccc2)CCN(c2ccccc2)[C@H]1O.ClC1(Cl)[C@@H](c2ccccc2)CCN(c2ccccc2)[C@@H]1O
• Title of publication: Visible-light-induced C(sp³)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide.
• Authors of publication: Wang, Fang; Liu, Xiaoli; Wang, Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 27
• Pages of publication: 6141 - 6146
• a: 17.8125 ± 0.0012 Å
• b: 17.8125 ± 0.0012 Å
• c: 8.4655 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2326.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No