Information card for entry 4038595

Structure parameters

• Formula: C42 H41 N O5 S
• Calculated formula: C42 H41 N O5 S
• Title of publication: Indolylthio glycosides as effective building blocks for chemical glycosylation.
• Authors of publication: Shrestha, Ganesh; Panza, Matteo; Singh, Yashapal; Rath, Nigam P.; Demchenko, Alexei V.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.9289 ± 0.0004 Å
• b: 8.8193 ± 0.0003 Å
• c: 16.9246 ± 0.0006 Å
• α: 90°
• β: 100.021 ± 0.002°
• γ: 90°
• Cell volume: 1753.38 ± 0.1 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: 0.0433
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No