Information card for entry 1506263

Structure parameters

• Formula: C23 H32 N2 O5
• Calculated formula: C23 H32 N2 O5
• SMILES: C1(=O)[C@H]2CN(CC[C@H]2[C@@H](C(=O)OC(C)(C)C)N1C(C)(C)c1ccccc1)C(=O)OC.C1(=O)[C@@H]2CN(CC[C@@H]2[C@H](C(=O)OC(C)(C)C)N1C(C)(C)c1ccccc1)C(=O)OC
• Title of publication: Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.
• Authors of publication: Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 5325 - 5328
• a: 27.369 ± 0.002 Å
• b: 6.226 ± 0.0005 Å
• c: 25.329 ± 0.0018 Å
• α: 90°
• β: 90.231 ± 0.001°
• γ: 90°
• Cell volume: 4316 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No