Information card for entry 7024625

Structure parameters

• Formula: C28 H42 Al Cl N2 O2
• Calculated formula: C28 H42 Al Cl N2 O2
• SMILES: Cl[Al]123Oc4c(C(C)(C)C)cc(cc4C[N]3(CC[N]2(C)C)Cc2cc(cc(c2O1)C(C)(C)C)C)C
• Title of publication: Reverse orders of reactivities in the polymerization of cyclic esters using N(2)O(2) aluminium alkoxide complexes.
• Authors of publication: Phomphrai, Khamphee; Chumsaeng, Phongnarin; Sangtrirutnugul, Preeyanuch; Kongsaeree, Palangpon; Pohmakotr, Manat
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1865 - 1871
• a: 12.2526 ± 0.0007 Å
• b: 11.8222 ± 0.0006 Å
• c: 19.0664 ± 0.0012 Å
• α: 90°
• β: 98.298 ± 0.002°
• γ: 90°
• Cell volume: 2732.9 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No