Information card for entry 1503916

Structure parameters

• Formula: C8 H15 N O3
• Calculated formula: C8 H15 N O3
• SMILES: O=C1N[C@H]2[C@@H](O)CCC[C@H]2C1.O.O=C1N[C@@H]2[C@H](O)CCC[C@@H]2C1.O
• Title of publication: Tethered aminohydroxylation (TA) reaction of amides.
• Authors of publication: Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2305 - 2307
• a: 4.9749 ± 0.0001 Å
• b: 7.8699 ± 0.0001 Å
• c: 22.0125 ± 0.0005 Å
• α: 90°
• β: 95.2915 ± 0.0008°
• γ: 90°
• Cell volume: 858.16 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No