Information card for entry 7119795

Structure parameters

• Formula: C18 H32 O10
• Calculated formula: C18 H32 O10
• SMILES: C1([C@@H]2[C@@H](C([C@H]3[C@H]1O[C@@]([C@@](C)(O3)OC)(C)OC)O)O[C@]([C@](C)(O2)OC)(C)OC)O
• 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: 6.7657 ± 0.0003 Å
• b: 13.1376 ± 0.0007 Å
• c: 11.8254 ± 0.0006 Å
• α: 90°
• β: 106.583 ± 0.002°
• γ: 90°
• Cell volume: 1007.38 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No