Information card for entry 4128164

Structure parameters

• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: O=C(N1c2ccccc2[C@]23[C@H]1C[C@H]2C[C@H](C3)C(=O)OC)C.O=C(N1c2ccccc2[C@@]23[C@@H]1C[C@@H]2C[C@@H](C3)C(=O)OC)C
• Title of publication: Synthesis of Cyclobutane-Fused Angular Tetracyclic Spiroindolines via Visible-Light-Promoted Intramolecular Dearomatization of Indole Derivatives.
• Authors of publication: Zhu, Min; Zheng, Chao; Zhang, Xiao; You, Shu-Li
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2636 - 2644
• a: 8.9322 ± 0.0004 Å
• b: 9.3914 ± 0.0005 Å
• c: 10.8992 ± 0.0006 Å
• α: 65.743 ± 0.002°
• β: 71.707 ± 0.002°
• γ: 63.078 ± 0.002°
• Cell volume: 733.98 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No