Information card for entry 4021940

Structure parameters

• Formula: C14 H26 N4
• Calculated formula: C14 H26 N4
• SMILES: C(=N\N1CCCCCC1)/C=N/N1CCCCCC1
• Title of publication: Phosphine-Free Palladium Catalyzed Mizoroki-Heck Reaction Using Hydrazone as a Ligand
• Authors of publication: Takashi Mino; Yoshiaki Shirae; Yousuke Sasai; Masami Sakamoto; Tsutomu Fujita
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6834 - 6839
• a: 4.8595 ± 0.0009 Å
• b: 6.1554 ± 0.001 Å
• c: 12.589 ± 0.002 Å
• α: 83.486 ± 0.003°
• β: 88.86 ± 0.004°
• γ: 74.263 ± 0.003°
• Cell volume: 360.09 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No