Information card for entry 2017439

Structure parameters

• Common name: 4-methoxy-1-naphthol
• Chemical name: 4-methoxy-1-naphthol
• Formula: C11 H10 O2
• Calculated formula: C11 H10 O2
• SMILES: Oc1ccc(OC)c2ccccc12
• Title of publication: 4-Methoxy-1-naphthol: chains formed by O—H···O hydrogen bonds and π‒π stacking interactions
• Authors of publication: Marciniak, Bernard; Rozycka-Sokolowska, Ewa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o630 - o634
• a: 8.594 ± 0.0004 Å
• b: 4.7435 ± 0.0002 Å
• c: 10.7293 ± 0.0005 Å
• α: 90°
• β: 95.183 ± 0.004°
• γ: 90°
• Cell volume: 435.6 ± 0.03 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes