Information card for entry 2222347

Structure parameters

• Chemical name: 4-(Hydroxymethyl)phenol
• Formula: C7 H8 O2
• Calculated formula: C7 H8 O2
• SMILES: Oc1ccc(CO)cc1
• Title of publication: 4-(Hydroxymethyl)phenol
• Authors of publication: Liu, Wei-Sheng; Wei, Rui-Ping; Tang, Xiao-Liang; Wang, Wen-Hua; Ju, Zheng-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1689
• a: 9.524 ± 0.003 Å
• b: 11.006 ± 0.004 Å
• c: 5.942 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 622.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes