Information card for entry 7031990

Structure parameters

• Formula: C28 H33 Al N2 O
• Calculated formula: C28 H33 Al N2 O
• SMILES: [Al]1([N](c2c(cccc2C(C)C)C(C)C)=C(N=C(O1)c1ccccc1)c1ccccc1)(C)C
• Title of publication: N-Benzoylbenzamidinate complexes of aluminium: highly efficient initiators for the ring-opening polymerization of ε-caprolactone.
• Authors of publication: Bakthavachalam, K.; Rajagopal, Ashwene; Dastagiri Reddy, N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14816 - 14823
• a: 20.2618 ± 0.0013 Å
• b: 11.2363 ± 0.0007 Å
• c: 22.8425 ± 0.0016 Å
• α: 90°
• β: 106.04 ± 0.007°
• γ: 90°
• Cell volume: 4998 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1537
• 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