Information card for entry 2007324

Structure parameters

• Common name: α,α',α''-trimethyl-1,3,5-benzenetrimethanol
• Formula: C12 H18 O3
• Calculated formula: C12 H18 O3
• Title of publication: Hydrogen-Bonding Patterns in a Centrosymmetric Structure with <i>Z</i>' = 2: α,α',α''-Trimethyl-1,3,5-benzenetrimethanol
• Authors of publication: Blackburn, Anthony C.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 792 - 795
• a: 9.386 ± 0.002 Å
• b: 27.5 ± 0.001 Å
• c: 10.316 ± 0.002 Å
• α: 90°
• β: 115.51 ± 0.02°
• γ: 90°
• Cell volume: 2403.1 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• 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: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 2.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes