Information card for entry 4128999

Structure parameters

• Formula: C32 H57 Li2 N6 O2 P
• Calculated formula: C32 H57 Li2 N6 O2 P
• SMILES: c1cccc2[C@H]3CC[O](C)[Li]43[N](C(C)(C)C)([C@H](c3ccccc3)C[N]34CCCCC3)[Li]([n]12)[O]=P(N(C)C)(N(C)C)N(C)C
• Title of publication: Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation.
• Authors of publication: Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15024 - 15028
• a: 14.958 ± 0.006 Å
• b: 15.579 ± 0.007 Å
• c: 30.593 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7129 ± 5 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1483
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.452
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No