Information card for entry 2223966

Structure parameters

• Chemical name: {2-[Bis(3-methyl-1<i>H</i>-indol-2-yl)methyl]phenolato- κ<i>O</i>}dimethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)
• Formula: C31 H35 Al N2 O2
• Calculated formula: C31 H35 Al N2 O2
• SMILES: [Al](Oc1ccccc1C(c1[nH]c2c(c1C)cccc2)c1[nH]c2c(c1C)cccc2)(C)(C)[O]1CCCC1
• Title of publication: {2-[Bis(3-methyl-1<i>H</i>-indol-2-yl)methyl]phenolato-κ<i>O</i>}dimethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)
• Authors of publication: Eisenberg, Audrey C.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1353
• a: 11.2045 ± 0.0001 Å
• b: 19.4191 ± 0.0003 Å
• c: 12.5543 ± 0.0002 Å
• α: 90°
• β: 98.537 ± 0.001°
• γ: 90°
• Cell volume: 2701.32 ± 0.06 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes