Information card for entry 4115334

Structure parameters

• Formula: C26 H34 F6 N2 O6 P2 S2
• Calculated formula: C26 H34 F6 N2 O6 P2 S2
• SMILES: S(=O)(=O)(Op1n(p(OS(=O)(=O)C(F)(F)F)n1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(F)(F)F
• Title of publication: Transformations between Monomeric, Dimeric, and Trimeric Phosphazanes: Oligomerizing NP Analogues of Olefins
• Authors of publication: Neil Burford; T. Stanley Cameron; Korey D. Conroy; Bobby Ellis; Michael Lumsden; Charles L. B. Macdonald; Robert McDonald; Andrew D. Phillips; Paul J. Ragogna; Robert W. Schurko; Denise Walsh; Roderick E. Wasylishen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14012 - 14013
• a: 10.772 ± 0.002 Å
• b: 29.335 ± 0.003 Å
• c: 11.17 ± 0.002 Å
• α: 90°
• β: 106.53 ± 0.01°
• γ: 90°
• Cell volume: 3383.8 ± 1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0477
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections: 1.418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.42
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No