Information card for entry 2221642

Structure parameters

• Chemical name: (Diethyl ether){1-[2-(1-methyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1,1- diphenylethyl]-(1,2,3,3a,7a-η)-indenyl}lithium(I)
• Formula: C31 H33 Li N2 O
• Calculated formula: C31 H33 Li N2 O
• SMILES: [Li]12345([n]6c(n(cc6)C)CC([c]61[cH]2[cH]3[c]14[c]56cccc1)(c1ccccc1)c1ccccc1)[O](CC)CC
• Title of publication: (Diethyl ether){1-[2-(1-methyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1,1-diphenylethyl]-(1,2,3,3a,7a-η)-indenyl}lithium(I)
• Authors of publication: Sun, Guofeng; Tian, Chong; Nie, Wanli; Borzov, Maxim V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m478
• a: 19.62 ± 0.002 Å
• b: 12.8763 ± 0.0013 Å
• c: 20.698 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5229 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes