Information card for entry 1503411

Structure parameters

• Common name: 09103a
• Formula: C17 H19 N O2
• Calculated formula: C17 H19 N O2
• SMILES: O=C1OC[C@H](N1C1=CC=C(C[C@@H]1C)C)c1ccccc1
• Title of publication: Torquoselective ring closures of chiral amido trienes derived from allenamides. A tandem allene isomerization-pericyclic ring-closure-intramolecular Diels-Alder cycloaddition.
• Authors of publication: Hayashi, Ryuji; Feltenberger, John B.; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1152 - 1155
• a: 7.1436 ± 0.0015 Å
• b: 9.869 ± 0.002 Å
• c: 20.461 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1442.5 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No