Information card for entry 7104088

Structure parameters

• Formula: C51 H58 O3 Si2 Ti
• Calculated formula: C51 H58 O3 Si2 Ti
• SMILES: [Ti]123456(Oc7c(cc(cc7C(C)(C)C)C(C)(C)C)[c]72[c]3([c]4([c]25[c]67cccc2)C)C)Oc2c([Si](C)(C)C)cc3ccccc3c2c2c(O1)c([Si](C)(C)C)cc1ccccc21
• Title of publication: Facile resolution of constrained geometry indenyl-phenoxide ligation.
• Authors of publication: Turner, Luke E; Thorn, Matthew G; Fanwick, Phillip E; Rothwell, Ian P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1034 - 1035
• a: 12.0012 ± 0.0004 Å
• b: 13.6234 ± 0.0005 Å
• c: 16.3611 ± 0.0006 Å
• α: 90°
• β: 105.542 ± 0.0014°
• γ: 90°
• Cell volume: 2577.2 ± 0.3 ų
• Cell temperature: 149 K
• Ambient diffraction temperature: 149 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Duplicate of: 7113884
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No