Information card for entry 1559668

Structure parameters

• Formula: C36 H41 B11 N P
• Calculated formula: C36 H41 B11 N P
• SMILES: [P+]1([C]2345[C]678([BH]9%102[BH]2%113[BH]3%124[BH]456[BH]56%12[BH]%12%113[BH]3%102[BH]279[BH]845[BH]6%1232)[B](c2ccccc2)(c2ccccc2)C=C1c1ccc(N(C)C)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.
• Authors of publication: Zhang, Jian; Xie, Zuowei
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1745 - 1749
• a: 11.512 ± 0.0013 Å
• b: 22.661 ± 0.003 Å
• c: 14.8847 ± 0.0017 Å
• α: 90°
• β: 95.426 ± 0.003°
• γ: 90°
• Cell volume: 3865.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.11
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No