Information card for entry 7109141

Structure parameters

• Formula: C26 H22 N2 O4
• Calculated formula: C26 H22 N2 O4
• SMILES: c12c([C@@H]3C(=C[C@@H](/C(=C\N4CCOC4=O)C3)c3ccc(cc3)C)N2C(=O)OCC)cccc1.c12c([C@H]3C(=C[C@H](/C(=C\N4CCOC4=O)C3)c3ccc(cc3)C)N2C(=O)OCC)cccc1
• 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: 27.7207 ± 0.0019 Å
• b: 5.8026 ± 0.0002 Å
• c: 28.3766 ± 0.0016 Å
• α: 90°
• β: 101.018 ± 0.007°
• γ: 90°
• Cell volume: 4480.3 ± 0.4 ų
• Cell temperature: 123 ± 0.3 K
• Ambient diffraction temperature: 123 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No