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Information card for entry 4506417
Preview
Coordinates | 4506417.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H9 F5 O3 S2 |
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Calculated formula | C15 H9 F5 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 | 21.3874 ± 0.0007 Å |
b | 5.5765 ± 0.0003 Å |
c | 26.7076 ± 0.0011 Å |
α | 90° |
β | 100.485 ± 0.004° |
γ | 90° |
Cell volume | 3132.1 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.054 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.1155 |
Weighted residual factors for all reflections included in the refinement | 0.1238 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.