Information card for entry 2004857

Structure parameters

• Formula: C6 H14 O3 Si
• Calculated formula: C6 H14 O3 Si
• SMILES: [Si](C(O)(C(=O)O)C)(C)(C)C
• Title of publication: Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid
• Authors of publication: Murray, R. W.; Singh, M.; Rath, N. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1282 - 1285
• a: 13.141 ± 0.003 Å
• b: 13.741 ± 0.003 Å
• c: 11.551 ± 0.002 Å
• α: 90°
• β: 112.36 ± 0.03°
• γ: 90°
• Cell volume: 1928.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections: 0.3425
• Weighted residual factors for significantly intense reflections: 0.2416
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No