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Information card for entry 7121720
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Coordinates | 7121720.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H19 N3 O2 |
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Calculated formula | C25 H19 N3 O2 |
Title of publication | Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, <i>in vitro</i> biological evaluation and molecular docking. |
Authors of publication | Sun, Wuji; Fang, Shubiao; Yan, Hong |
Journal of publication | MedChemComm |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 6 |
Pages of publication | 1054 - 1058 |
a | 5.4568 ± 0.0007 Å |
b | 7.5939 ± 0.0005 Å |
c | 45.622 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1890.5 ± 0.3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0303 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.0743 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
230133 (current) | 2019-11-17 | cif/ Updating files of 7121719, 7121720 Original log message: Adding full bibliography for 7121719--7121720.cif. |
7121720.cif |
207939 | 2018-05-23 | cif/ Adding structures of 7121719, 7121720 via cif-deposit CGI script. |
7121720.cif |
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Users of the data should acknowledge the original authors of the
structural data.