Information card for entry 7001678

Structure parameters

• Common name: (THFAl(L1))
• Formula: C31 H38 Al N O4
• Calculated formula: C31 H38 Al N O4
• SMILES: [Al]123(Oc4c(cc(cc4C[N]3(Cc3c(O1)c(cc(c3)C)C)Cc1c(O2)c(cc(c1)C)C)C)C)[O]1CCCC1
• Title of publication: Synthesis and structure of aluminium amine-phenolate complexes
• Authors of publication: Johnson, Andrew L.; Davidson, Matthew G.; Pérez, Yolanda; Jones, Matthew D.; Merle, Nicolas; Raithby, Paul R.; Richards, Stephen P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 28
• Pages of publication: 5551 - 5558
• a: 9.339 ± 0.0002 Å
• b: 17.512 ± 0.0003 Å
• c: 16.654 ± 0.0003 Å
• α: 90°
• β: 97.712 ± 0.001°
• γ: 90°
• Cell volume: 2699.04 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No