Information card for entry 4025124

Structure parameters

• Formula: C11 H22 N2 O2
• Calculated formula: C11 H22 N2 O2
• SMILES: N1[C@H](C[C@@H](O)C[C@H]1C(C)(C)C)C(=O)NC.N1[C@@H](C[C@H](O)C[C@@H]1C(C)(C)C)C(=O)NC
• Title of publication: The Vinylfluoro Group as an Acetonyl Cation Equivalent: Stereoselective Synthesis of 6-Substituted 4-Hydroxy Pipecolic Acid Derivatives
• Authors of publication: Nirupam Purkayastha; Deepak M. Shendage; Roland Fröhlich; Günter Haufe
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 222 - 225
• a: 24.5675 ± 0.0013 Å
• b: 9.4469 ± 0.0005 Å
• c: 12.9022 ± 0.0006 Å
• α: 90°
• β: 99.489 ± 0.003°
• γ: 90°
• Cell volume: 2953.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No