Information card for entry 2223791

Structure parameters

• Chemical name: 4-Hydroxymethyl-2-methoxyphenol
• Formula: C8 H10 O3
• Calculated formula: C8 H10 O3
• SMILES: Oc1ccc(cc1OC)CO
• Title of publication: 4-Hydroxymethyl-2-methoxyphenol
• Authors of publication: Wang, Qiang; Li, Suo-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2838
• a: 9.8476 ± 0.0006 Å
• b: 6.1721 ± 0.0004 Å
• c: 15.4915 ± 0.0007 Å
• α: 90°
• β: 126.877 ± 0.002°
• γ: 90°
• Cell volume: 753.19 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes