Information card for entry 4347300

Structure parameters

• Formula: C36 H52 Cr N2
• Calculated formula: C36 H52 Cr N2
• SMILES: [Cr]1234(N([C]51CCCC[CH]2=5)c1c(cccc1C(C)C)C(C)C)N([C]13=[CH]4CCCC1)c1c(cccc1C(C)C)C(C)C
• 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: 11.32 ± 0.002 Å
• b: 11.5351 ± 0.0019 Å
• c: 13.336 ± 0.003 Å
• α: 87.146 ± 0.008°
• β: 82.848 ± 0.009°
• γ: 70.288 ± 0.007°
• Cell volume: 1626.5 ± 0.5 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 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: 0.0569
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No