Information card for entry 4076194

Structure parameters

• Formula: C18 H33 Cl N2 O Ti
• Calculated formula: C18 H33 Cl N2 O Ti
• Title of publication: Titanium(IV)-Mediated Conversion of Carboxamides to Amidines and Implications for Catalytic Transamidation
• Authors of publication: Kissounko, Denis A.; Guzei, Ilia A.; Gellman, Samuel H.; Stahl, Shannon S.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5208
• a: 8.0867 ± 0.0008 Å
• b: 27.518 ± 0.003 Å
• c: 9.3624 ± 0.001 Å
• α: 90°
• β: 94.033 ± 0.002°
• γ: 90°
• Cell volume: 2078.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No