Information card for entry 7132952

Structure parameters

• Formula: C16 H19 N O2
• Calculated formula: C16 H19 N O2
• SMILES: O[C@]12c3c(N4[C@@]1(C[C@@H](C4=O)C)CCCC2)cccc3.O[C@@]12c3c(N4[C@]1(C[C@H](C4=O)C)CCCC2)cccc3
• Title of publication: Accessing pyrrolo[1,2-<i>a</i>]indole derivatives <i>via</i> visible-light-induced dearomatizative cyclization of indoles.
• Authors of publication: Liu, Zhaosheng; Ji, Xiaochen; Duan, Lilan; Deng, Guo-Jun; Huang, Huawen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 37
• Pages of publication: 4902 - 4905
• a: 16.3685 ± 0.0003 Å
• b: 10.1416 ± 0.0002 Å
• c: 33.0222 ± 0.0007 Å
• α: 90°
• β: 92.147 ± 0.002°
• γ: 90°
• Cell volume: 5477.93 ± 0.19 ų
• Cell temperature: 295.62 ± 0.13 K
• Ambient diffraction temperature: 295.62 ± 0.13 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: 0.1065
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No