Information card for entry 1573238

Structure parameters

• Formula: C15 H29 Li N2
• Calculated formula: C15 H29 Li N2
• Title of publication: Unlocking regioselectivity: steric effects and conformational constraints of Lewis bases in alkyllithium-initiated butadiene polymerization.
• Authors of publication: Tang, Jian; Fu, Yuan; Hua, Jing; Zhang, Jiahao; Peng, Shuoli; Li, Zhibo
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 20493 - 20502
• a: 8.9379 ± 0.0003 Å
• b: 12.3047 ± 0.0004 Å
• c: 14.7566 ± 0.0005 Å
• α: 89.051 ± 0.003°
• β: 74.903 ± 0.003°
• γ: 86.783 ± 0.003°
• Cell volume: 1564.42 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No