Information card for entry 4119369

Structure parameters

• Formula: C21 H26 Cl N
• Calculated formula: C21 H26 Cl N
• SMILES: [Cl-].[NH+]1(Cc2ccccc2)[C@]2(C)[C@H](C)[C@]2(C)[C@H](c2ccccc2)C1.[Cl-].[NH+]1(Cc2ccccc2)[C@@]2(C)[C@@H](C)[C@@]2(C)[C@@H](c2ccccc2)C1
• Title of publication: Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems
• Authors of publication: Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2478 - 2481
• a: 22.7381 ± 0.0016 Å
• b: 14.1039 ± 0.0003 Å
• c: 11.6051 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3721.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No