Information card for entry 4079571

Structure parameters

• Formula: C35 H47 Cr N2
• Calculated formula: C35 H47 Cr N2
• SMILES: CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Cr]2345(C6CCCCC6)([cH]6[cH]2[cH]3[cH]4[cH]56)N1c1ccc(cc1)C
• Title of publication: Controlling Secondary Alkyl Radicals: Ligand Effects in Chromium-Catalyzed C‒P Bond Formation
• Authors of publication: Zhou, Wen; MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7324
• a: 14.8508 ± 0.0014 Å
• b: 10.1551 ± 0.001 Å
• c: 20.959 ± 0.002 Å
• α: 90°
• β: 99.007 ± 0.005°
• γ: 90°
• Cell volume: 3121.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0731
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No