Information card for entry 4036945

Structure parameters

• Formula: C22 H24 N2 O2
• Calculated formula: C22 H24 N2 O2
• SMILES: O=C1N(c2ccccc2[C@]1(CC)[C@@]1(c2c(N(C1=O)C)cccc2)CC)C.O=C1N(c2ccccc2[C@@]1(CC)[C@]1(c2c(N(C1=O)C)cccc2)CC)C
• Title of publication: Homocoupling of 3-Halooxindole via Visible-Light Photocatalysis: A Mild Access to 3,3'-Bioxindoles.
• Authors of publication: Jia, Wen-Liang; He, Jian; Yang, Jia-Jing; Gao, Xue-Wang; Liu, Qiang; Wu, Li-Zhu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 16
• Pages of publication: 7172 - 7181
• a: 9.4924 ± 0.0012 Å
• b: 13.7707 ± 0.0016 Å
• c: 15.835 ± 0.002 Å
• α: 107.369 ± 0.011°
• β: 102.785 ± 0.011°
• γ: 92.675 ± 0.01°
• Cell volume: 1912.4 ± 0.4 ų
• Cell temperature: 220.6 ± 0.1 K
• Ambient diffraction temperature: 220.6 ± 0.1 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: 0.1635
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No