Information card for entry 1503919

Structure parameters

• Common name: 09032a
• Formula: C16 H19 N O2
• Calculated formula: C16 H19 N O2
• SMILES: O=C1OC[C@@H](N1/C(=C/c1ccccc1)C=C)C(C)C
• Title of publication: Regio- and stereoselective isomerizations of allenamides: synthesis of 2-amido-dienes and their tandem isomerization-electrocyclic ring-closure.
• Authors of publication: Hayashi, Ryuji; Hsung, Richard P.; Feltenberger, John B.; Lohse, Andrew G.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2125 - 2128
• a: 7.6848 ± 0.0017 Å
• b: 10.09 ± 0.002 Å
• c: 17.842 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1383.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No