Information card for entry 4347304

Structure parameters

• Formula: C36 H52 N2
• Calculated formula: C36 H52 N2
• SMILES: c1(c(cccc1C(C)C)C(C)C)/N=C\1[C@@H]([C@@H]2/C(=N/c3c(cccc3C(C)C)C(C)C)CCCC2)CCCC1.c1(c(cccc1C(C)C)C(C)C)/N=C\1[C@H]([C@H]2/C(=N/c3c(cccc3C(C)C)C(C)C)CCCC2)CCCC1
• Title of publication: Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.
• Authors of publication: Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4223 - 4232
• a: 15.55 ± 0.009 Å
• b: 9.151 ± 0.005 Å
• c: 24.38 ± 0.011 Å
• α: 90°
• β: 107.24 ± 0.03°
• γ: 90°
• Cell volume: 3313 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No