Information card for entry 2228480

Structure parameters

• Chemical name: 3-(Pyridin-4-ylmethoxy)phenol
• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• SMILES: n1ccc(COc2cc(O)ccc2)cc1
• Title of publication: 3-(Pyridin-4-ylmethoxy)phenol
• Authors of publication: Han, Liying; Zang, Hu; Sun, Dajun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3147
• a: 6.6551 ± 0.0006 Å
• b: 9.116 ± 0.0008 Å
• c: 17.0039 ± 0.0015 Å
• α: 90°
• β: 100.501 ± 0.001°
• γ: 90°
• Cell volume: 1014.31 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes