Information card for entry 1547224

Structure parameters

• Formula: C22 H21 N O
• Calculated formula: C22 H21 N O
• SMILES: O1N(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C.O1N(c2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C
• Title of publication: Visible-Light-Mediated Anti-Regioselective Nitrone 1,3-Dipolar Cycloaddition Reaction and Synthesis of Bisindolylmethanes.
• Authors of publication: Zheng, Lewei; Gao, Fei; Yang, Chao; Gao, Guo-Lin; Zhao, Yating; Gao, Yuan; Xia, Wujiong
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5086 - 5089
• a: 8.4694 ± 0.0007 Å
• b: 9.9145 ± 0.0008 Å
• c: 11.0455 ± 0.0008 Å
• α: 104.21 ± 0.007°
• β: 93.496 ± 0.006°
• γ: 100.126 ± 0.007°
• Cell volume: 879.82 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0743
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No