Information card for entry 1503915

Structure parameters

• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• SMILES: O=C1N[C@@H]([C@H](C1)c1ccccc1)[C@@H](O)c1ccccc1.O=C1N[C@H]([C@@H](C1)c1ccccc1)[C@H](O)c1ccccc1
• 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: 32.886 ± 0.0012 Å
• b: 6.0205 ± 0.0003 Å
• c: 14.9007 ± 0.0007 Å
• α: 90°
• β: 109.973 ± 0.002°
• γ: 90°
• Cell volume: 2772.7 ± 0.2 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: 0.0989
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No