Information card for entry 1506353

Structure parameters

• Formula: C23 H21 F4 N O4
• Calculated formula: C23 H21 F4 N O4
• SMILES: Fc1cc(cc(/C(=C\CCCC(=O)OC)c2cc3C(=O)N(Oc3c(c2)C)C)c1)C(F)(F)F
• Title of publication: Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors.
• Authors of publication: Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2005
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 6140 - 6155
• a: 8.8822 ± 0.0007 Å
• b: 9.7444 ± 0.0009 Å
• c: 12.9675 ± 0.0017 Å
• α: 76.306 ± 0.004°
• β: 72.48 ± 0.006°
• γ: 89.873 ± 0.005°
• Cell volume: 1036.98 ± 0.19 ų
• 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: 0.068
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No