Information card for entry 2013353

Structure parameters

• Chemical name: L^4^ is 3-[2,6-bis(diethylcarbamoyl)pyridin-4-yl]-N-(tert-butoxycarbonyl)alanine methyl ester
• Formula: C24 H38 N4 O6
• Calculated formula: C24 H38 N4 O6
• SMILES: O=C(N(CC)CC)c1nc(cc(c1)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C(=O)N(CC)CC
• Title of publication: 3-[2,6-Bis(diethylcarbamoyl)pyridin-4-yl]-<i>N</i>-(<i>tert</i>-butoxycarbonyl)alanine methyl ester: a chiral tridentate ligand that causes a diastereomeric excess of its lanthanide complexes in solution
• Authors of publication: Muller, Gilles; Schmidt, Boris; Jiřiček, Jan; Bünzli, Jean-Claude G.; Schenk, Kurt J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o353 - o356
• a: 11.144 ± 0.002 Å
• b: 13.047 ± 0.003 Å
• c: 18.429 ± 0.004 Å
• α: 90°
• β: 98.19 ± 0.03°
• γ: 90°
• Cell volume: 2652.2 ± 1 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 2.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes