Information card for entry 2212184

Structure parameters

• Chemical name: 2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
• Formula: C10 H20 O5
• Calculated formula: C10 H20 O5
• SMILES: OC1C(CCCC1(CO)CO)(CO)CO
• Title of publication: 2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
• Authors of publication: Hua, Chao; Li, Xin-Gang; Xu, Shi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o547 - o548
• a: 12.181 ± 0.003 Å
• b: 6.0387 ± 0.0016 Å
• c: 14.606 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.4 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes