Information card for entry 7119790

Structure parameters

• Formula: C18 H31 N3 O9
• Calculated formula: C18 H31 N3 O9
• 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)N=N#N
• 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: 11.8946 ± 0.0003 Å
• b: 17.0004 ± 0.0005 Å
• c: 21.7463 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4397.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1495
• 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