Information card for entry 7015028

Structure parameters

• Formula: C22 H30 N2 O2
• Calculated formula: C22 H30 N2 O2
• SMILES: c1(c(C)cc(cc1CN1CCN(Cc2c(c(cc(c2)C)C)O)CC1)C)O
• Title of publication: Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.
• Authors of publication: Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 2033 - 2037
• a: 8.496 ± 0.0003 Å
• b: 12.883 ± 0.0003 Å
• c: 8.996 ± 0.0003 Å
• α: 90°
• β: 102.393 ± 0.002°
• γ: 90°
• Cell volume: 961.7 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.06
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No