Information card for entry 1507412

Structure parameters

• Formula: C52 H70 N4 O2 Ti
• Calculated formula: C52 H70 N4 O2 Ti0.5
• Title of publication: Anti-Markovnikov intermolecular hydroamination: a bis(amidate) titanium precatalyst for the preparation of reactive aldimines.
• Authors of publication: Zhang, Zhe; Schafer, Laurel L.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 4733 - 4736
• a: 25.73 ± 0.002 Å
• b: 10.4622 ± 0.0007 Å
• c: 18.785 ± 0.002 Å
• α: 90°
• β: 103.683 ± 0.004°
• γ: 90°
• Cell volume: 4913.3 ± 0.7 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.1264
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for all reflections: 0.967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No