Information card for entry 1515451

Structure parameters

• Common name: HF250a784
• Formula: C24 H25 N O2
• Calculated formula: C24 H25 N O2
• SMILES: O1C(=O)N([C@@H]([C@@H]1c1ccccc1)C)/C=C1\[C@@H](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: 8.2075 ± 0.0003 Å
• b: 9.8258 ± 0.0004 Å
• c: 24.0803 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1941.96 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No