Information card for entry 7113880

Structure parameters

• Formula: C27 H38 N2 O Ti
• Calculated formula: C27 H38 N2 O Ti
• Title of publication: Facile resolution of constrained geometry indenyl-phenoxide ligationElectronic supplementary information (ESI) available: synthesis of compounds 1‒8 and ORTEP views of4,5 and 6. See http://www.rsc.org/suppdata/cc/b2/b212724e/
• Authors of publication: Turner, Luke E.; Thorn, Matthew G.; Fanwick, Phillip E.; Rothwell, Ian P.
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1034
• a: 12.4594 ± 0.0003 Å
• b: 11.7575 ± 0.0003 Å
• c: 18.0226 ± 0.0004 Å
• α: 90°
• β: 108.173 ± 0.0013°
• γ: 90°
• Cell volume: 2508.46 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No