Information card for entry 7050108

Structure parameters

• Formula: C44 H54 N2 O12
• Calculated formula: C44 H54 N2 O12
• SMILES: C1OCCOCCN(CCOCCOCCN(C1)Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1)Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1
• Title of publication: Lanthanide luminescent mesomorphic complexes with macrocycles derived from diaza-18-crown-6
• Authors of publication: Suárez, Stéphane; Mamula, Olimpia; Scopelliti, Rosario; Donnio, Bertrand; Guillon, Daniel; Terazzi, Emmanuel; Piguet, Claude; Bünzli, Jean-Claude G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 1323
• a: 8.7954 ± 0.0011 Å
• b: 9.5631 ± 0.0013 Å
• c: 13.9798 ± 0.0018 Å
• α: 95.811 ± 0.011°
• β: 91.078 ± 0.011°
• γ: 115.79 ± 0.013°
• Cell volume: 1050.7 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No