Information card for entry 7012554

Structure parameters

• Formula: C38 H42 Li2 N4 O4
• Calculated formula: C38 H42 Li2 N4 O4
• SMILES: [O]1(c2c([N]34[Li]5([N](=C(C=C3C)C)c3c(OC)cccc3)[O](c3ccccc3[N]35C(C)=CC(=[N]5[Li]143[O](c1c5cccc1)C)C)C)cccc2)C
• Title of publication: Structures and reactions of monomeric and dimeric lithium diazapentadienyl complexes with electrophiles: synthesis of α-C,C'-dialkyl-β-diimines, and dissolution-reversible synthesis of an α-alkoxylithium-β-diimine
• Authors of publication: Carey, David T.; Cope-Eatough, Elaine K.; Vilaplana-Mafé, Eva; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.; Woods, Rebecca J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1083
• a: 10.6917 ± 0.0004 Å
• b: 11.8407 ± 0.0005 Å
• c: 15.3648 ± 0.0009 Å
• α: 77.01 ± 0.002°
• β: 85.387 ± 0.002°
• γ: 66.242 ± 0.002°
• Cell volume: 1734.63 ± 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: 0.1183
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No