Information card for entry 8105598

Structure parameters

• Formula: C15 H22 O3 Si
• Calculated formula: C15 H22 O3 Si
• Title of publication: Crystal structure of 2-((tert-butyldimethylsilyl)oxy)-5-methylisophthalaldehyde, C15H22O3Si
• Authors of publication: Liu, Peilian; Liu, Na; Liu, Cuiling; Jia, Yongmei; Zhou, Guohua; Sun, Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 227 - 229
• a: 10.0187 ± 0.0005 Å
• b: 11.9948 ± 0.0005 Å
• c: 13.6259 ± 0.0007 Å
• α: 90°
• β: 102.521 ± 0.005°
• γ: 90°
• Cell volume: 1598.51 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No