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Information card for entry 4506416
Preview
Coordinates | 4506416.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H13 I O3 S2 |
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Calculated formula | C15 H13 I O3 S2 |
Title of publication | Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. |
Authors of publication | Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar |
Journal of publication | ACS medicinal chemistry letters |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 6 |
Pages of publication | 490 - 495 |
a | 9.0219 ± 0.0002 Å |
b | 5.1183 ± 0.0001 Å |
c | 34.1133 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1575.24 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0252 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0524 |
Weighted residual factors for all reflections included in the refinement | 0.0525 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4506416.html
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Users of the data should acknowledge the original authors of the
structural data.