Information card for entry 4129984

Structure parameters

• Formula: C29 H35 I
• Calculated formula: C29 H35 I
• SMILES: IC(=C(\C(=C(/C)C1CCCCC1)c1ccccc1)/C1CCCCC1)/c1ccccc1
• Title of publication: Selective Double Carbomagnesiation of Internal Alkynes Catalyzed by Iron-N-Heterocyclic Carbene Complexes: A Convenient Method to Highly Substituted 1,3-Dienyl Magnesium Reagents.
• Authors of publication: Liu, Yuesheng; Wang, Lijun; Deng, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 1
• Pages of publication: 112 - 115
• a: 17.4002 ± 0.0018 Å
• b: 8.8803 ± 0.0009 Å
• c: 18.069 ± 0.002 Å
• α: 90°
• β: 113.935 ± 0.002°
• γ: 90°
• Cell volume: 2551.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No