Information card for entry 7106545

Structure parameters

• Formula: C31 H29 N5 O6
• Calculated formula: C31 H29 N5 O6
• SMILES: O=C([C@H](NC(=O)c1nc(C(=O)N[C@@H](C(=O)OC)Cc2c3ccccc3[nH]c2)ccc1)Cc1c2c([nH]c1)cccc2)OC
• Title of publication: Lanthanide directed self-assembly formations of Tb(III) and Eu(III) luminescent complexes from tryptophan based pyridyl amide ligands
• Authors of publication: Christophe Lincheneau; Joseph P. Leonard; Thomas McCabe; Thorfinnur Gunnlaugsson
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7119
• a: 9.3915 ± 0.0006 Å
• b: 12.773 ± 0.0008 Å
• c: 23.7777 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2852.3 ± 0.3 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 4
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No