Information card for entry 7021369

Structure parameters

• Formula: C29 H37 N O2
• Calculated formula: C29 H37 N O2
• SMILES: Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)CN(C)c1c(cccc1)c1c(OC)cccc1
• Title of publication: Synthesis of Ti(iv) complexes of donor-functionalised phenoxy-imine tridentates and their evaluation in ethylene oligomerisation and polymerisation.
• Authors of publication: Suttil, James A.; Shaw, Miranda F.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9129 - 9138
• a: 26.9936 ± 0.0015 Å
• b: 10.429 ± 0.0019 Å
• c: 18.542 ± 0.0017 Å
• α: 90°
• β: 107.509 ± 0.004°
• γ: 90°
• Cell volume: 4978 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No