Information card for entry 7705759

Structure parameters

• Formula: C17 H15 N3 O2
• Calculated formula: C17 H15 N3 O2
• SMILES: C1CN=C(c2cc(cc(C3=NCCO3)n2)c2ccccc2)O1
• Title of publication: Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu^III and Tb^III complexes.
• Authors of publication: de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17699 - 17708
• a: 16.3794 ± 0.0004 Å
• b: 7.2856 ± 0.0002 Å
• c: 11.7073 ± 0.0003 Å
• α: 90°
• β: 97.229 ± 0.001°
• γ: 90°
• Cell volume: 1385.97 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No