Information card for entry 7233731

Structure parameters

• Common name: (S,S,S)-arabitol monocaprate
• Chemical name: (2S,3S,4S)-2,3,4,5-tetrahydroxypentyl decanoate
• Formula: C15 H30 O6
• Calculated formula: C15 H30 O6
• Title of publication: Boronic acid-promoted site-selective Fischer esterifications of sugar alcohols
• Authors of publication: Manhas, Sanjay; Lin, Yu Chen; Wang, Grace; Kyne, Luke T.; Taylor, Mark S.
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 5363
• a: 4.8349 ± 0.0003 Å
• b: 5.364 ± 0.0003 Å
• c: 16.1843 ± 0.001 Å
• α: 81.706 ± 0.002°
• β: 89.469 ± 0.003°
• γ: 86.953 ± 0.003°
• Cell volume: 414.75 ± 0.04 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No