Information card for entry 2223960

Structure parameters

• Chemical name: 2-Hydroxybenzyl alcohol–phenanthroline (1/1)
• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• SMILES: n1c2c(ccc1)ccc1cccnc21.Oc1c(cccc1)CO
• Title of publication: 2-Hydroxybenzyl alcohol–phenanthroline (1/1)
• Authors of publication: Ton, Cuong Quoc; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2936
• a: 7.264 ± 0.001 Å
• b: 20.256 ± 0.003 Å
• c: 11.082 ± 0.002 Å
• α: 90°
• β: 109.13 ± 0.03°
• γ: 90°
• Cell volume: 1540.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes