Information card for entry 7119789

Structure parameters

• Formula: C19 H31 F3 O12 S
• Calculated formula: C19 H31 F3 O12 S
• Title of publication: Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.
• Authors of publication: Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 3971
• a: 19.882 ± 0.002 Å
• b: 11.2489 ± 0.0012 Å
• c: 24.609 ± 0.003 Å
• α: 90°
• β: 111.666 ± 0.005°
• γ: 90°
• Cell volume: 5115 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1996
• Residual factor for significantly intense reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.3425
• Weighted residual factors for all reflections included in the refinement: 0.3736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No