Information card for entry 7012519

Structure parameters

• Formula: C34 H56 Al2 O3
• Calculated formula: C34 H56 Al2 O3
• SMILES: [Al]12([O](c3c(cc(c(c3c3c(O2)c(cc(c3C)C)C(C)(C)C)C)C)C(C)(C)C)[Al]([O]1C(C(C)C)C(C)C)(C)C)C
• Title of publication: Binolate complexes of lithium, zinc, aluminium, and titanium; preparations, structures, and studies of lactide polymerization
• Authors of publication: Chisholm, Malcolm H.; Lin, Chu-Chieh; Gallucci, Judith C.; Ko, Bao-Tsan
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 406
• a: 13.2489 ± 0.0001 Å
• b: 14.5356 ± 0.0002 Å
• c: 19.8429 ± 0.0003 Å
• α: 101.212 ± 0.001°
• β: 103.271 ± 0.001°
• γ: 105.798 ± 0.001°
• Cell volume: 3441.51 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections: 0.1444
• Weighted residual factors for significantly intense reflections: 0.1281
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No