Information card for entry 2242500

Structure parameters

• Chemical name: Methyl 3-(3-hydroxy-3-phenylprop-2-enoyl)benzoate
• Formula: C17 H14 O4
• Calculated formula: C17 H14 O4
• Title of publication: Synthesis and crystal structure of methyl 3-(3-hydroxy-3-phenylprop-2-enoyl)benzoate
• Authors of publication: Zharinova, Irina S.; Bilyalova, Alfiya A.; Bezzubov, Stanislav I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 816 - 819
• a: 7.8085 ± 0.001 Å
• b: 10.5171 ± 0.0014 Å
• c: 17.124 ± 0.002 Å
• α: 90°
• β: 102.711 ± 0.002°
• γ: 90°
• Cell volume: 1371.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes