Information card for entry 4345779

Structure parameters

• Formula: C88 H150 F12 N4 O13 P12 S4
• Calculated formula: C88 H150 F12 N4 O13 P12 S4
• 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: 51.906 ± 0.003 Å
• b: 11.3247 ± 0.0006 Å
• c: 20.0014 ± 0.0013 Å
• α: 90°
• β: 107.47 ± 0.003°
• γ: 90°
• Cell volume: 11214.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No