Information card for entry 7129638

Structure parameters

• Formula: C29 H24 N2 O2
• Calculated formula: C29 H24 N2 O2
• SMILES: O=C1[C@@H](c2ccccc2)[C@@H]2c3c4ccccc4n(C)c3C[C@]3([C@@H]2C1)C(=O)Nc1ccccc31.O=C1[C@H](c2ccccc2)[C@H]2c3c4ccccc4n(C)c3C[C@@]3([C@H]2C1)C(=O)Nc1ccccc31
• Title of publication: An acid-promoted pseudocine substitution manifold of γ-aminocyclopentenone enables divergent access to polycyclic indole derivatives
• Authors of publication: Mondal, Biplab; Jagadeesh, Chenna; Das, Dinabandhu; Saha, Jaideep
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.0315 ± 0.0017 Å
• b: 10.8177 ± 0.0017 Å
• c: 13.014 ± 0.002 Å
• α: 97.315 ± 0.005°
• β: 97.743 ± 0.006°
• γ: 111.251 ± 0.005°
• Cell volume: 1280.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No