Information card for entry 1554585

Structure parameters

• Formula: C21 H24 N2 O7
• Calculated formula: C21 H24 N2 O7
• SMILES: C([C@H]1c2c(c3c(n2C)cccc3)[C@@H]2OC(C(=O)OCC)(C(=O)OCC)C[C@H]12)N(=O)=O
• Title of publication: Asymmetric construction of polycyclic indole derivatives with different ring connectivities by an organocatalysis triggered two-step sequence
• Authors of publication: Xie, Chao-Chao; Tan, Rui; Liu, Yan-Kai
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 919
• a: 9.6264 ± 0.0013 Å
• b: 10.858 ± 0.0014 Å
• c: 11.2163 ± 0.0014 Å
• α: 90°
• β: 113.736 ± 0.002°
• γ: 90°
• Cell volume: 1073.2 ± 0.2 ų
• Cell temperature: 120.15 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No