Information card for entry 7249456

Structure parameters

• Formula: C13 H21 N2 O2 P S2
• Calculated formula: C13 H21 N2 O2 P S2
• Title of publication: Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes
• Authors of publication: Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 32206 - 32220
• a: 5.8046 ± 0.0002 Å
• b: 10.7878 ± 0.0002 Å
• c: 13.3907 ± 0.0003 Å
• α: 81.0002 ± 0.0018°
• β: 83.334 ± 0.002°
• γ: 89.276 ± 0.002°
• Cell volume: 822.58 ± 0.04 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0378
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No