Information card for entry 7112856

Structure parameters

• Formula: C19 H33 B Li N2 P
• Calculated formula: C19 H33 B Li N2 P
• SMILES: p1(c(c(c(c1C)C)C)C)[B]12=[CH]3[CH]4=[CH]5[CH]6=[CH]1[Li]123456[N](C)(C)CC[N]1(C)C
• Title of publication: Synthesis of a 1-boratabenzene-(2,3,4,5-tetramethylphosphole): towards a planar monophosphole.
• Authors of publication: Bélanger-Chabot, Guillaume; Rioux, Philippe; Maron, Laurent; Fontaine, Frédéric-Georges
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 6816 - 6818
• a: 8.7343 ± 0.0005 Å
• b: 18.1187 ± 0.0009 Å
• c: 13.3941 ± 0.0007 Å
• α: 90°
• β: 95.63 ± 0.003°
• γ: 90°
• Cell volume: 2109.45 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No