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Information card for entry 7247098
Preview
Coordinates | 7247098.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H43 N4 O20 S4 |
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Calculated formula | C54 H43 N4 O20 S4 |
Title of publication | Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds |
Authors of publication | Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M. |
Journal of publication | RSC Medicinal Chemistry |
Year of publication | 2023 |
a | 13.0431 ± 0.0006 Å |
b | 15.4223 ± 0.0007 Å |
c | 17.5012 ± 0.0007 Å |
α | 76.057 ± 0.004° |
β | 83.296 ± 0.004° |
γ | 84.321 ± 0.004° |
Cell volume | 3384.2 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1093 |
Residual factor for significantly intense reflections | 0.0807 |
Weighted residual factors for significantly intense reflections | 0.2365 |
Weighted residual factors for all reflections included in the refinement | 0.2641 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/7247098.html
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Users of the data should acknowledge the original authors of the
structural data.