Information card for entry 4101742

Structure parameters

• Formula: C19 H21 N O6
• Calculated formula: C19 H21 N O6
• SMILES: C1(CC2C(c3cc(N(=O)=O)ccc3C=C2C1)(C)C)(C(=O)OC)C(=O)OC
• Title of publication: Gold(I)-Catalyzed Intramolecular [4+2] Cycloadditions of Arylalkynes or 1,3-Enynes with Alkenes: Scope and Mechanism
• Authors of publication: Nieto-Oberhuber, Cristina; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Lauterbach, Thorsten; Rodríguez, Cristina; López, Salomé; Bour, Christophe; Rosellón, Antonio; Cárdenas, Diego J.; Echavarren, Antonio M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Journal issue: 1
• Pages of publication: 269 - 279
• a: 6.8152 ± 0.0011 Å
• b: 10.669 ± 0.002 Å
• c: 12.389 ± 0.002 Å
• α: 81.193 ± 0.005°
• β: 75.297 ± 0.005°
• γ: 85.65 ± 0.005°
• Cell volume: 860.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No