Information card for entry 4079570

Structure parameters

• Formula: C36 H43 Cr N2 O3 S
• Calculated formula: C36 H43 Cr N2 O3 S
• SMILES: CC1=CC(C)=[N](c2ccc(cc2)C)[Cr]2345([cH]6[cH]5[cH]4[cH]3[cH]26)(N1c1c(cccc1C(C)C)C(C)C)OS(=O)(=O)c1ccc(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: 10.9124 ± 0.0013 Å
• b: 11.399 ± 0.0012 Å
• c: 14.8482 ± 0.0018 Å
• α: 83.332 ± 0.005°
• β: 78.022 ± 0.005°
• γ: 63.468 ± 0.004°
• Cell volume: 1615.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No