Information card for entry 1546327

Structure parameters

• Formula: C22 H27 N O4
• Calculated formula: C22 H27 N O4
• Title of publication: Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model.
• Authors of publication: Read, Jacquelyne A.; Yang, Yingying; Woerpel, K. A.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3346 - 3349
• a: 9.4731 ± 0.0013 Å
• b: 12.733 ± 0.0018 Å
• c: 18.302 ± 0.003 Å
• α: 73.8 ± 0.002°
• β: 79.595 ± 0.002°
• γ: 73.498 ± 0.002°
• Cell volume: 2020.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No