Information card for entry 1520702

Structure parameters

• Formula: C41 H60 N8 O3 Ti2
• Calculated formula: C41 H60 N8 O3 Ti2
• Title of publication: Directed Amination of Aryl Methyl Ethers Mediated by Ti(NMe2)4 at Room Temperature.
• Authors of publication: Chen, Zhou; Liu, Jinna; Pei, Hao; Liu, Wei; Chen, Yanmei; Wu, Jian; Li, Wu; Li, Yahong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3406 - 3409
• a: 19.8643 ± 0.0006 Å
• b: 9.0349 ± 0.0002 Å
• c: 24.8875 ± 0.0007 Å
• α: 90°
• β: 106.793 ± 0.002°
• γ: 90°
• Cell volume: 4276.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1046
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No