Information card for entry 4130487

Structure parameters

• Formula: C41 H36 B F10 O4 P
• Calculated formula: C41 H36 B F10 O4 P
• SMILES: [B]1([O]=C(OC)/C(=C(P(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)\C(=O)OC)C(C(=C)C)C1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.
• Authors of publication: Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 27
• Pages of publication: 8554 - 8559
• a: 11.365 ± 0.0005 Å
• b: 14.8236 ± 0.0007 Å
• c: 16.1305 ± 0.0007 Å
• α: 65.606 ± 0.002°
• β: 70.053 ± 0.002°
• γ: 77.352 ± 0.002°
• Cell volume: 2316.74 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No