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Information card for entry 7131221
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7131221.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H22 Br N O5 |
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Calculated formula | C27 H22 Br N O5 |
SMILES | Brc1ccc([C@]2([C@@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)[C@@H]2C(=O)OC)C(=O)OC)cc1.Brc1ccc([C@@]2([C@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)[C@H]2C(=O)OC)C(=O)OC)cc1 |
Title of publication | B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed cyclopropanation of 3-alkenyl-oxindoles with diazomethanes. |
Authors of publication | Xiao, Lei; Jin, Lvnan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 13 |
Pages of publication | 1833 - 1836 |
a | 13.2115 ± 0.0003 Å |
b | 14.3699 ± 0.0003 Å |
c | 24.8145 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4710.98 ± 0.17 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
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 | 0.0327 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0734 |
Weighted residual factors for all reflections included in the refinement | 0.0764 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7131221.html
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Users of the data should acknowledge the original authors of the
structural data.