Information card for entry 7023229

Structure parameters

• Formula: C43 H55 Li N2 O
• Calculated formula: C43 H55 Li N2 O
• SMILES: C1(=CC(=[N](c2c(cccc2C(C)C)C(C)C)[Li](N1c1c(cccc1C(C)C)C(C)C)[O](CC)CC)c1ccccc1)c1ccccc1
• Title of publication: Beryllium derivatives of a phenyl-substituted β-diketiminate: a well-defined ring opening reaction of tetrahydrofuran.
• Authors of publication: Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9720 - 9726
• a: 8.664 ± 0.0003 Å
• b: 12.022 ± 0.0005 Å
• c: 18.407 ± 0.0009 Å
• α: 86.906 ± 0.002°
• β: 83.488 ± 0.002°
• γ: 81.211 ± 0.002°
• Cell volume: 1881.2 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No