Information card for entry 7109140

Structure parameters

• Formula: C26 H26 N2 O4
• Calculated formula: C26 H26 N2 O4
• SMILES: O(C(=O)n1c2c(c3c1CC(C(=C\N1C(=O)OCC1)/C3)c1ccc(cc1)C)cccc2)CC
• Title of publication: Gold-catalyzed synthesis of tetrahydrocarbazole derivatives through an intermolecular cycloaddition of vinyl indoles and N-allenamides
• Authors of publication: Valentina Pirovano; Laura Decataldo; Elisabetta Rossi; Ruben Vicente
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3594
• a: 8.5876 ± 0.0002 Å
• b: 20.5244 ± 0.0003 Å
• c: 12.2009 ± 0.0002 Å
• α: 90°
• β: 96.667 ± 0.002°
• γ: 90°
• Cell volume: 2135.93 ± 0.07 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No