Information card for entry 1503917

Structure parameters

• Formula: C9 H15 N O2
• Calculated formula: C9 H15 N O2
• SMILES: O[C@@]1(CC[C@@H]2C(=O)N[C@]1(C2)C)C.O[C@]1(CC[C@H]2C(=O)N[C@@]1(C2)C)C
• 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: 18.3496 ± 0.0003 Å
• b: 9.3578 ± 0.0002 Å
• c: 11.8645 ± 0.0002 Å
• α: 90°
• β: 120.022 ± 0.0009°
• γ: 90°
• Cell volume: 1763.94 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0472
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9426
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No