Information card for entry 1558946

Structure parameters

• Formula: C33 H50 Al N O2 Si
• Calculated formula: C33 H50 Al N O2 Si
• SMILES: C12(C(=C(c3c(c(c(c(c13)C)C)C)C)C)C)[Al](N(C(C)(C)C)[Si]2(C)C)(Oc1c(cccc1C)C)[O]1CCCC1
• Title of publication: l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes
• Authors of publication: Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 39
• Pages of publication: 6308 - 6318
• a: 9.115 ± 0.0005 Å
• b: 11.4654 ± 0.0005 Å
• c: 18.1231 ± 0.001 Å
• α: 75.161 ± 0.004°
• β: 84.213 ± 0.004°
• γ: 69.169 ± 0.004°
• Cell volume: 1711.05 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.16 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No