Information card for entry 4027879

Structure parameters

• Formula: C34 H48 N O S
• Calculated formula: C34 H47 N O S
• Title of publication: Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring
• Authors of publication: Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 899 - 909
• a: 9.475 ± 0.005 Å
• b: 11.821 ± 0.005 Å
• c: 13.921 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.921 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1525.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1464
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No