Information card for entry 7135542

Structure parameters

• Chemical name: JWN-II-141
• Formula: C38 H56 Br N5 O10 S
• Calculated formula: C38 H56 Br N5 O10 S
• Title of publication: A 2nd-generation scalable synthesis of the HIV-1 entry inhibitor CJF-III-288 enabled by photoredox catalysis.
• Authors of publication: Nadraws, Jonathan W.; Pokle, Maithili S.; Smith, 3rd, Amos B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 9
• Pages of publication: 2981 - 2985
• a: 12.1491 ± 0.0003 Å
• b: 12.2447 ± 0.0003 Å
• c: 14.3618 ± 0.0004 Å
• α: 90°
• β: 100.839 ± 0.002°
• γ: 90°
• Cell volume: 2098.38 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No