Information card for entry 7234756

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: 8.1428 ± 0.001 Å
• b: 11.1701 ± 0.0012 Å
• c: 25.718 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2339.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No