Information card for entry 7234755

Structure parameters

• Formula: C27 H25 Cl N O3 P
• Calculated formula: C27 H25 Cl N O3 P
• Title of publication: Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain
• Authors of publication: Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 6.8897 ± 0.0003 Å
• b: 14.6971 ± 0.0006 Å
• c: 12.2755 ± 0.0005 Å
• α: 90°
• β: 103.491 ± 0.003°
• γ: 90°
• Cell volume: 1208.7 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0777
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No