Information card for entry 7152055

Structure parameters

• Formula: C20 H32 N2 O5
• Calculated formula: C20 H32 N2 O5
• SMILES: O[C@H](c1ccccc1)[C@H](C)[NH2+]C.O=C(OC(C)(C)C)N[C@@H]1C[C@H]1CC(=O)[O-]
• Title of publication: Stereoselective preparation of β,γ-methano-GABA derivatives.
• Authors of publication: Aitken, David J.; Drouin, Ludovic; Goretta, Sarah; Guillot, Régis; Ollivier, Jean; Spiga, Marco
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 7517 - 7524
• a: 8.1131 ± 0.0017 Å
• b: 10.109 ± 0.002 Å
• c: 25.357 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2079.7 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No