Information card for entry 7119792

Structure parameters

• Formula: C20 H32 Cl3 F3 O12 S
• Calculated formula: C20 H32 Cl3 F3 O12 S
• SMILES: C1([C@H]2[C@H](C([C@@H]3[C@@H]1O[C@]([C@](C)(O3)OC)(C)OC)OS(=O)(=O)C(F)(F)F)O[C@@]([C@@](C)(O2)OC)(C)OC)O.ClC(Cl)Cl
• 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: 11.401 ± 0.002 Å
• b: 22.024 ± 0.005 Å
• c: 11.813 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2966.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1575
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No