Information card for entry 7108638

Structure parameters

• Formula: C32 H27 B F10 N P
• Calculated formula: C32 H27 B F10 N P
• SMILES: P1(=[NH][B](CC1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Anomalous Staudinger reaction at intramolecular frustrated P-B Lewis pair frameworks
• Authors of publication: Annika Stute; Lukas Heletta; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11739
• a: 11.1667 ± 0.0004 Å
• b: 14.5051 ± 0.0008 Å
• c: 18.7777 ± 0.001 Å
• α: 90°
• β: 100.307 ± 0.002°
• γ: 90°
• Cell volume: 2992.4 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No