Information card for entry 4133507

Structure parameters

• Formula: C11 H12 Cl N
• Calculated formula: C11 H12 Cl N
• Title of publication: Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.
• Authors of publication: Farndon, Joshua J.; Young, Tom A.; Bower, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 51
• Pages of publication: 17846 - 17850
• a: 5.7714 ± 0.0002 Å
• b: 7.3205 ± 0.0002 Å
• c: 22.5971 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 954.72 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No