Information card for entry 7151726

Structure parameters

• Formula: C8 H13 N O3
• Calculated formula: C8 H13 N O3
• SMILES: N1C(=O)OC[C@@H]1[C@H](CO)CC=C
• Title of publication: Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.
• Authors of publication: Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1901 - 1907
• a: 6.0046 ± 0.0014 Å
• b: 6.104 ± 0.0014 Å
• c: 12.099 ± 0.003 Å
• α: 90°
• β: 103.144 ± 0.004°
• γ: 90°
• Cell volume: 431.84 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No