Information card for entry 7114336

Structure parameters

• Formula: C14 H23 Cl2 N O Ti
• Calculated formula: C14 H23 Cl2 N O Ti
• SMILES: [Ti]1234(Cl)(Cl)(ON5C(CCCC5(C)C)(C)C)[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: Synthesis and molecular structure of titanium complexes containing a reduced TEMPO radical
• Authors of publication: Mahanthappa, Mahesh K.; Huang, Kuo-Wei; Cole, Adam P.; Waymouth, Robert M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 502
• a: 7.83 ± 0 Å
• b: 12.02 ± 0 Å
• c: 17.93 ± 0 Å
• α: 90°
• β: 100.29 ± 0°
• γ: 90°
• Cell volume: 1660.37 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.344
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No