Information card for entry 7028656

Structure parameters

• Formula: C48 H48 Al N3 O6
• Calculated formula: C48 H48 Al N3 O6
• SMILES: [Al]123(Oc4c(c5ccccc5cc4)C4OC[C@@H]([N]1=4)C(C)C)(Oc1c(c4ccccc4cc1)C1OC[C@@H]([N]2=1)C(C)C)Oc1c(c2ccccc2cc1)C1OC[C@@H]([N]3=1)C(C)C
• Title of publication: Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).
• Authors of publication: Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1434 - 1442
• a: 13.64 ± 0.002 Å
• b: 10.6561 ± 0.0015 Å
• c: 14.196 ± 0.002 Å
• α: 90°
• β: 95.13 ± 0.004°
• γ: 90°
• Cell volume: 2055.1 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No