Information card for entry 7109142

Structure parameters

• Formula: C37 H45 Cl2 N3 O7
• Calculated formula: C148 H180 Cl8 N12 O28
• 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: 12.9978 ± 0.0008 Å
• b: 22.7937 ± 0.0014 Å
• c: 12.2394 ± 0.0008 Å
• α: 90°
• β: 91.808 ± 0.005°
• γ: 90°
• Cell volume: 3624.3 ± 0.4 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.1387
• Residual factor for significantly intense reflections: 0.1129
• Weighted residual factors for significantly intense reflections: 0.3185
• Weighted residual factors for all reflections included in the refinement: 0.345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.429
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No