Information card for entry 2238302

Structure parameters

• Chemical name: <i>rac</i>-3-(4-Hydroxybenzyl)chroman-4-one
• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• Title of publication: <i>rac</i>-3-(4-Hydroxybenzyl)chroman-4-one
• Authors of publication: Shalini, S.; Girija, C. R.; Simon, Lalitha; Srinivasan, K. K.; Venkatesha, T. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1011 - o1012
• a: 5.257 ± 0.0002 Å
• b: 17.0254 ± 0.0007 Å
• c: 14.6879 ± 0.0005 Å
• α: 90°
• β: 97.806 ± 0.002°
• γ: 90°
• Cell volume: 1302.42 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes