Information card for entry 7160729

Structure parameters

• Common name: OTP-N-mU-1
• Chemical name: OTP-N-mU-1
• Formula: C12.05 H18.4 Cl1.05 N4.35 O5 P S2
• Calculated formula: C12.05 H18.4 Cl1.05 N4.35 O5 P S2
• Title of publication: Morpholino-based phosphorothioate analogs <i>via</i> oxathiaphospholane chemistry: synthesis, structural insights and stability.
• Authors of publication: Jastrzębska, Katarzyna; Szymańska, Agata; Pawlak, Tomasz; Dolot, Rafał
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 38
• Pages of publication: 8755 - 8763
• a: 17.0836 ± 0.0003 Å
• b: 7.2277 ± 0.0001 Å
• c: 17.8604 ± 0.0003 Å
• α: 90°
• β: 112.621 ± 0.002°
• γ: 90°
• Cell volume: 2035.66 ± 0.06 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No