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Information card for entry 4518258
Preview
Coordinates | 4518258.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H33 N O4 S |
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Calculated formula | C26 H33 N O4 S |
Title of publication | Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides |
Authors of publication | Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E. |
Journal of publication | ACS Medicinal Chemistry Letters |
Year of publication | 2020 |
a | 9.18072 ± 0.00012 Å |
b | 9.24659 ± 0.00012 Å |
c | 26.9361 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2286.62 ± 0.05 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 | 0.0346 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections included in the refinement | 0.0844 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4518258.html
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Users of the data should acknowledge the original authors of the
structural data.