Information card for entry 4036539

Structure parameters

• Formula: C19 H24 Br N O4
• Calculated formula: C19 H24 Br N O4
• SMILES: Brc1ccc(cc1)NC(C)(C)C1C(=C)CC(C1)(C(=O)OC)C(=O)OC
• Title of publication: Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.
• Authors of publication: Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 1839 - 1849
• a: 10.8261 ± 0.0008 Å
• b: 13.3487 ± 0.001 Å
• c: 13.767 ± 0.0012 Å
• α: 90°
• β: 109.233 ± 0.002°
• γ: 90°
• Cell volume: 1878.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No