Information card for entry 1558942

Structure parameters

• Formula: C36 H56 N O2 Sc Si
• Calculated formula: C36 H56 N O2 Sc Si
• SMILES: [c]123[c]4([c]5([c]67c(c(c(c([c]16[Sc]3457(N(C(C)C)[Si]2(C)C)(Oc1c(cccc1C(C)C)C(C)C)[O]1CCCC1)C)C)C)C)C)C
• 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: 11.597 ± 0.0001 Å
• b: 16.9523 ± 0.0002 Å
• c: 18.292 ± 0.0002 Å
• α: 90°
• β: 103.407 ± 0.001°
• γ: 90°
• Cell volume: 3498.13 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No