Information card for entry 2220701

Structure parameters

• Chemical name: 4-Hydroxyphenyl 4-fluorobenzoate
• Formula: C13 H9 F O3
• Calculated formula: C13 H9 F O3
• SMILES: c1(ccc(cc1)F)C(=O)Oc1ccc(cc1)O
• Title of publication: 4-Hydroxyphenyl 4-fluorobenzoate
• Authors of publication: You, Hyon Pil; Lee, You-Soon; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o252
• a: 24.938 ± 0.005 Å
• b: 5.4789 ± 0.0011 Å
• c: 7.6858 ± 0.0015 Å
• α: 90°
• β: 93.59 ± 0.03°
• γ: 90°
• Cell volume: 1048.1 ± 0.4 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes