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Information card for entry 1565567
Preview
Coordinates | 1565567.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H22 F4 N2 O |
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Calculated formula | C25 H22 F4 N2 O |
SMILES | FC(F)(F)[C@@](c1c2c([nH]c1)ccc(OC)c2)(c1c2cc(F)ccc2[nH]c1)C#CC(C)(C)C |
Title of publication | Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters. |
Authors of publication | Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui |
Journal of publication | Chemical science |
Year of publication | 2021 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 170 - 177 |
a | 10.311 ± 0.0002 Å |
b | 12.3464 ± 0.0002 Å |
c | 34.9989 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4455.49 ± 0.14 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0718 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.12 |
Weighted residual factors for all reflections included in the refinement | 0.1343 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1565567.html
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Users of the data should acknowledge the original authors of the
structural data.