Information card for entry 7121366

Structure parameters

• Formula: C28 H48 N2 O2 P2 S2
• Calculated formula: C28 H48 N2 O2 P2 S2
• Title of publication: Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.
• Authors of publication: Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 50
• Pages of publication: 6800 - 6803
• a: 15.8615 ± 0.0011 Å
• b: 6.9081 ± 0.0005 Å
• c: 26.3622 ± 0.0017 Å
• α: 90°
• β: 94.36 ± 0.002°
• γ: 90°
• Cell volume: 2880.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No