Information card for entry 7119507

Structure parameters

• Formula: C50 H68 Al2 Li2 N4 O2
• Calculated formula: C50 H68 Al2 Li2 N4 O2
• Title of publication: A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.
• Authors of publication: García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 1225 - 1228
• a: 9.7021 ± 0.0002 Å
• b: 22.8975 ± 0.0005 Å
• c: 22.1511 ± 0.0005 Å
• α: 90°
• β: 95.061 ± 0.001°
• γ: 90°
• Cell volume: 4901.77 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No