Information card for entry 7016232

Structure parameters

• Formula: C35.5 H26 B F15 N O2
• Calculated formula: C35.5 H26 B F15 N O2
• Title of publication: Ring openings of lactone and ring contractions of lactide by frustrated Lewis pairs.
• Authors of publication: Kreitner, Christoph; Geier, Stephen J.; Stanlake, Louisa J. E.; Caputo, Christopher B.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6771 - 6777
• a: 11.4886 ± 0.0008 Å
• b: 14.9489 ± 0.0011 Å
• c: 20.7973 ± 0.0015 Å
• α: 90°
• β: 104.278 ± 0.003°
• γ: 90°
• Cell volume: 3461.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.093
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No