Information card for entry 4103622

Structure parameters

• Formula: C20 H29 B F3 N8 O5 P S W
• Calculated formula: C22 H31 B F3 N9 O7.878 P S2 W
• Title of publication: Polarization of the Pyridine Ring: Highly Functionalized Piperidines from Tungsten-Pyridine Complex
• Authors of publication: Daniel P. Harrison; Michal Sabat; William H. Myers; W. Dean Harman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17282 - 17295
• a: 11.2007 ± 0.0009 Å
• b: 11.5746 ± 0.0009 Å
• c: 14.1492 ± 0.0012 Å
• α: 89.986 ± 0.002°
• β: 84.365 ± 0.002°
• γ: 68.284 ± 0.001°
• Cell volume: 1694.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No