Information card for entry 1502049

Structure parameters

• Formula: C8 H10 N2 O3
• Calculated formula: C8 H10 N2 O3
• SMILES: O=C1N2CC[C@@H]3OC(=O)C[C@H](N1)[C@H]23
• Title of publication: Synthesis of (±)-acetylnorloline via stereoselective tethered aminohydroxylation.
• Authors of publication: Hovey, M. Todd; Eklund, Emily J.; Pike, Robert D.; Mainkar, Anshul A.; Scheerer, Jonathan R.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1246 - 1249
• a: 5.1827 ± 0.0001 Å
• b: 8.0456 ± 0.0002 Å
• c: 20.4481 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 852.64 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0383
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No