Information card for entry 7129667

Structure parameters

• Formula: C18 H22 N2 O2
• Calculated formula: C18 H22 N2 O2
• SMILES: O=C1N2[C@@]34[C@@H](CC1)C[C@]3(c1c2ccc(OC)c1)CCN(C)C4.O=C1N2[C@]34[C@H](CC1)C[C@@]3(c1c2ccc(OC)c1)CCN(C)C4
• Title of publication: Hydrogen bond, as a protecting group, enables the photocatalytic [2+2] cycloaddition of redox-active aliphatic amine-containing indole derivatives
• Authors of publication: Li, Hao; He, Yishu; Zhang, Di; Yang, Li; Zhang, Jiarui; Long, Rui-ling; Lu, Ji; Wei, Jun; Yang, Lin; Wei, Siping; Yi, Dong; Zhang, Zhijie; Fu, Qiang
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 15.223 ± 0.003 Å
• b: 10.344 ± 0.002 Å
• c: 19.924 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3137.4 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No