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Information card for entry 7156233
Preview
Coordinates | 7156233.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H11 N3 O |
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Calculated formula | C18 H11 N3 O |
Title of publication | Iodine-catalyzed oxidative annulation of 3-cyanoacetylindoles with benzylamines: facile access to 5-(3-indolyl)oxazoles. |
Authors of publication | Liu, Xiaozu; Zhou, Yuxiang; Chen, Guojun; Yang, Zhongqin; Li, Qin; Liu, Peijun |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 19 |
Pages of publication | 3572 - 3575 |
a | 11.8242 ± 0.0005 Å |
b | 5.6357 ± 0.0002 Å |
c | 20.6262 ± 0.0008 Å |
α | 90° |
β | 99.544 ± 0.004° |
γ | 90° |
Cell volume | 1355.46 ± 0.09 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.1427 |
Residual factor for significantly intense reflections | 0.1363 |
Weighted residual factors for significantly intense reflections | 0.3392 |
Weighted residual factors for all reflections included in the refinement | 0.3537 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.564 |
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/7156233.html
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Users of the data should acknowledge the original authors of the
structural data.