Information card for entry 7112734

Structure parameters

• Formula: C19 H26 N2 O4
• 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 ų
• 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