Information card for entry 7119794

Structure parameters

• Formula: C18 H30 N6 O8
• Calculated formula: C18 H30 N6 O8
• SMILES: C1([C@H]2[C@H](C([C@@H]3[C@@H]1O[C@]([C@](C)(O3)OC)(C)OC)N=N#N)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: 12.3487 ± 0.0004 Å
• b: 22.2829 ± 0.0008 Å
• c: 17.8108 ± 0.0006 Å
• α: 90°
• β: 105.944 ± 0.002°
• γ: 90°
• Cell volume: 4712.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1109
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No