Information card for entry 4036946

Structure parameters

• Formula: C22 H24 N2 O2
• Calculated formula: C22 H24 N2 O2
• SMILES: c12ccccc1[C@@](C(=O)N2C)(CC)[C@@]1(c2c(cccc2)N(C1=O)C)CC.c12ccccc1[C@](C(=O)N2C)(CC)[C@]1(c2c(cccc2)N(C1=O)C)CC
• 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: 14.4383 ± 0.0004 Å
• b: 16.5487 ± 0.0006 Å
• c: 31.6999 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7574.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No