Information card for entry 1515448

Structure parameters

• Formula: C17 H19 N O2
• Calculated formula: C17 H19 N O2
• SMILES: N1(CCOC1=O)/C=C/1C(C(=CCC1)C)c1ccccc1
• Title of publication: Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
• Authors of publication: Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 633
• a: 7.7628 ± 0.0009 Å
• b: 11.1348 ± 0.0013 Å
• c: 32.262 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2788.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No