Information card for entry 7158790

Structure parameters

• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• SMILES: O1C(=O)CC(Cc2[nH]c3c(c2CC1C)cccc3)(C)C
• Title of publication: Rapid construction of indole-fused 8–10 membered lactones via a tandem reaction
• Authors of publication: Li, Zhen; Ma, Shiqiang; Liu, Fuhai; Ma, Ruize; Zhao, Jipeng; Xie, Xingang; She, Xuegong
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.8106 ± 0.0002 Å
• b: 17.8042 ± 0.0002 Å
• c: 9.8334 ± 0.0002 Å
• α: 90°
• β: 119.489 ± 0.003°
• γ: 90°
• Cell volume: 1495.08 ± 0.06 ų
• Cell temperature: 295.99 ± 0.1 K
• Ambient diffraction temperature: 295.99 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No