Information card for entry 4345781

Structure parameters

• Formula: C22 H46 F3 N O3 P4 S
• Calculated formula: C22 H46 F3 N O3 P4 S
• Title of publication: Influence of Ring Strain and Bond Polarization on the Ring Expansion of Phosphorus Homocycles.
• Authors of publication: Chitnis, Saurabh S.; Musgrave, Rebecca A.; Sparkes, Hazel A.; Pridmore, Natalie E.; Annibale, Vincent T.; Manners, Ian
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4522 - 4538
• a: 11.535 ± 0.001 Å
• b: 8.2909 ± 0.0007 Å
• c: 31.952 ± 0.003 Å
• α: 90°
• β: 95.338 ± 0.004°
• γ: 90°
• Cell volume: 3042.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No