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Information card for entry 7060111
Preview
Coordinates | 7060111.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H9 Cl F3 N O3 |
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Calculated formula | C11 H9 Cl F3 N O3 |
Title of publication | Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation |
Authors of publication | Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 45 |
Pages of publication | 19723 - 19733 |
a | 12.3325 ± 0.0013 Å |
b | 11.1364 ± 0.001 Å |
c | 9.0892 ± 0.0008 Å |
α | 90° |
β | 108.654 ± 0.005° |
γ | 90° |
Cell volume | 1182.7 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0527 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.1064 |
Weighted residual factors for all reflections included in the refinement | 0.1158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7060111.html
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