Information card for entry 7108639

Structure parameters

• Formula: C27 H10 B F15 N2
• Calculated formula: C27 H10 B F15 N2
• SMILES: [B]([n]1[nH]c2c(c1)cc(cc2C)C)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 11.8538 ± 0.0004 Å
• b: 16.1096 ± 0.0005 Å
• c: 13.2359 ± 0.0003 Å
• α: 90°
• β: 91.891 ± 0.002°
• γ: 90°
• Cell volume: 2526.15 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No