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Information card for entry 7158184
Preview
Coordinates | 7158184.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-(5-fluoro-2-(p-tolyl)-1H-indol-3-yl)ethene-1,1,2-tricarbonitrile |
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Formula | C20 H11 F N4 |
Calculated formula | C20 H11 F N4 |
Title of publication | An expedient route to tricyanovinylindoles and indolylmaleimides from o-alkynylanilines utilising DMSO as a one-carbon synthon. |
Authors of publication | Chakraborty, Nikita; Dahiya, Anjali; Rakshit, Amitava; Modi, Anju; Patel, Bhisma K. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 31 |
Pages of publication | 6847 - 6857 |
a | 11.4106 ± 0.0007 Å |
b | 14.3958 ± 0.0014 Å |
c | 9.9664 ± 0.0005 Å |
α | 90° |
β | 94.167 ± 0.006° |
γ | 90° |
Cell volume | 1632.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1181 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1099 |
Weighted residual factors for all reflections included in the refinement | 0.1383 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
268955 (current) | 2021-09-06 | cif/ Updating files of 7158184 Original log message: Adding full bibliography for 7158184.cif. |
7158184.cif |
267691 | 2021-07-22 | cif/ Adding structures of 7158184 via cif-deposit CGI script. |
7158184.cif |
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