Information card for entry 4024148

Structure parameters

• Formula: C41 H31 N O10 S
• Calculated formula: C41 H31 N O10 S
• Title of publication: Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides
• Authors of publication: Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 6938 - 6946
• a: 10.5853 ± 0.0003 Å
• b: 14.0278 ± 0.0004 Å
• c: 14.5458 ± 0.0004 Å
• α: 63.584 ± 0.001°
• β: 86.746 ± 0.002°
• γ: 72.257 ± 0.002°
• Cell volume: 1834.47 ± 0.09 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2234
• 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: Yes
• Has Fobs: No