Information card for entry 7105957

Structure parameters

• Formula: C44 H48 Br2 Li2 O4
• Calculated formula: C44 H48 Br2 Li2 O4
• SMILES: Brc1c2c([c]3(c4c1cccc4)[Li]([c]1(c4c(c(Br)c5c1cccc5)cccc4)[Li]3([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)cccc2
• Title of publication: Assessment of the LiX salt-effect in anthracenyl lithiums
• Authors of publication: Daniel Stern; Nils Finkelmeier; Dietmar Stalke
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2113
• a: 12.477 ± 0.002 Å
• b: 17.529 ± 0.003 Å
• c: 19.792 ± 0.003 Å
• α: 64.145 ± 0.002°
• β: 78.978 ± 0.002°
• γ: 89.269 ± 0.002°
• Cell volume: 3811.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No