Information card for entry 4125367

Structure parameters

• Formula: C58 H88 Li4 N4 O8
• Calculated formula: C58 H88 Li4 N4 O8
• SMILES: C12=C(c3ccccc3)[O](C)[Li]([O]2[Li]([N]23[C@@H](C=[N]4(CCCCC4)[Li]43[N]3(CCC2)[C@@H](C=[N]2(CCCCC2)[Li]3([O]14)[O]1CCCC1)c1ccccc1)c1ccccc1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1
• Title of publication: Lithium Enolates in the Enantioselective Construction of Tetrasubstituted Carbon Centers with Chiral Lithium Amides as Noncovalent Stereodirecting Auxiliaries.
• Authors of publication: Yu, Kai; Lu, Ping; Jackson, Jeffrey J.; Nguyen, Thuy-Ai D; Alvarado, Joseph; Stivala, Craig E.; Ma, Yun; Mack, Kyle A.; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 1
• Pages of publication: 527 - 533
• a: 12.3684 ± 0.0007 Å
• b: 18.2504 ± 0.0009 Å
• c: 13.2045 ± 0.0008 Å
• α: 90°
• β: 108.027 ± 0.003°
• γ: 90°
• Cell volume: 2834.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1569
• 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: No