Information card for entry 2221135

Structure parameters

• Chemical name: 2,2'-(1,10-Phenanthrolin-2-ylimino)diethanol
• Formula: C16 H17 N3 O2
• Calculated formula: C16 H17 N3 O2
• SMILES: c1(ccc2c(c3c(cc2)cccn3)n1)N(CCO)CCO
• Title of publication: 2,2'-(1,10-Phenanthrolin-2-ylimino)diethanol
• Authors of publication: Jin, Xia; Li, Jin Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o541
• a: 4.848 ± 0.001 Å
• b: 14.854 ± 0.003 Å
• c: 18.858 ± 0.004 Å
• α: 90°
• β: 93.523 ± 0.003°
• γ: 90°
• Cell volume: 1355.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes