Information card for entry 4133506

Structure parameters

• Formula: C15 H20 Cl N O2
• Calculated formula: C15 H20 Cl N O2
• SMILES: C1C(CCCN1C(=O)OCC)(Cc1ccccc1)Cl
• 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: 8.2302 ± 0.0002 Å
• b: 15.7113 ± 0.0004 Å
• c: 11.2016 ± 0.0003 Å
• α: 90°
• β: 93.2127 ± 0.0014°
• γ: 90°
• Cell volume: 1446.17 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.04 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: 0.0383
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No