Information card for entry 2224996

Structure parameters

• Chemical name: 2,3,5-Trimethyl-1,4-hydroquinone
• Formula: C9 H12 O2
• Calculated formula: C8.998 H11.9972 O2
• Title of publication: 2,3,5-Trimethyl-1,4-hydroquinone
• Authors of publication: Dai, Jun; Xie, Min-Hao; Liu, Ya-Ling; Zou, Pei; Wu, Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o303
• a: 8.035 ± 0.004 Å
• b: 4.696 ± 0.002 Å
• c: 10.503 ± 0.005 Å
• α: 90°
• β: 92.813 ± 0.005°
• γ: 90°
• Cell volume: 395.8 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes