Information card for entry 7714669

Structure parameters

• Formula: C32 H43 Al Br N2 O
• Calculated formula: C32 H43 Al Br N2 O
• Title of publication: Flexible NHC-aryloxido aluminum complex and its zwitterionic imidazolium aluminate precursor in ring-opening polymerization of ε-caprolactone.
• Authors of publication: Goswami, Santu; Mandal, Pranay; Sarkar, Subham; Mukherjee, Mainak; Pal, Samanwita; Mallick, Dibyendu; Mukherjee, Debabrata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1346 - 1354
• a: 14.48 ± 0.0001 Å
• b: 14.1304 ± 0.0001 Å
• c: 16.5352 ± 0.0001 Å
• α: 90°
• β: 100.969 ± 0.001°
• γ: 90°
• Cell volume: 3321.43 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No