Information card for entry 1505407

Structure parameters

• Formula: C20 H23 N3 O14 S2
• Calculated formula: C20 H23 N3 O14 S2
• Title of publication: Tautomeric modification of GlcNAc-thiazoline.
• Authors of publication: Knapp, Spencer; Abdo, Mohannad; Ajayi, Kehinde; Huhn, Richard A.; Emge, Thomas J.; Kim, Eun Ju; Hanover, John A.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 2321 - 2324
• a: 7.9893 ± 0.0014 Å
• b: 27.158 ± 0.005 Å
• c: 11.724 ± 0.002 Å
• α: 90°
• β: 93.637 ± 0.003°
• γ: 90°
• Cell volume: 2538.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No