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Information card for entry 7112734
Preview
Coordinates | 7112734.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H26 N2 O4 |
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Calculated formula | C19 H26 N2 O4 |
SMILES | O1[C@](C(=O)N[C@@H](C(C)(C)C)C(=O)NC)(Cc2ccccc2)CCC1=O |
Title of publication | HIV-1 protease inhibitors with a tertiary alcohol containing transition-state mimic and various P2 and P1′ substituents |
Authors of publication | Öhrngren, Per; Wu, Xiongyu; Persson, Magnus; Ekegren, Jenny K.; Wallberg, Hans; Vrang, Lotta; Rosenquist, Åsa; Samuelsson, Bertil; Unge, Torsten; Larhed, Mats |
Journal of publication | MedChemComm |
Year of publication | 2011 |
Journal volume | 2 |
Journal issue | 8 |
Pages of publication | 701 |
a | 9.8793 ± 0.0001 Å |
b | 11.1873 ± 0.0002 Å |
c | 17.448 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1928.4 ± 0.06 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 ± 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 | 0.0639 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1314 |
Weighted residual factors for all reflections included in the refinement | 0.1451 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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