Information card for entry 4032288

Structure parameters

• Formula: C9 H11 I N2 S
• Calculated formula: C9 H11 I N2 S
• Title of publication: S-Benzimidazolyl (SBiz) Imidates as a Platform for Oligosaccharide Synthesis via Active-Latent, Armed-Disarmed, Selective, and Orthogonal Activations.
• Authors of publication: Hasty, Scott J.; Bandara, Mithila D.; Rath, Nigam P.; Demchenko, Alexei V.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 1904 - 1911
• a: 6.6795 ± 0.0003 Å
• b: 9.4844 ± 0.0004 Å
• c: 9.9184 ± 0.0004 Å
• α: 67.948 ± 0.002°
• β: 88.957 ± 0.002°
• γ: 70.779 ± 0.002°
• Cell volume: 545.91 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No