Information card for entry 1515449

Structure parameters

• Formula: C18 H21 N O2
• Calculated formula: C18 H21 N O2
• SMILES: CC1=CC[C@H](/C(=C/N2CCOC2=O)[C@@H]1c1ccccc1)C.CC1=CC[C@@H](/C(=C/N2CCOC2=O)[C@H]1c1ccccc1)C
• 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: 11.93 ± 0.002 Å
• b: 8.5702 ± 0.0015 Å
• c: 30.278 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3095.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No