Information card for entry 1549661

Structure parameters

• Formula: C20 H26 N2 O4 S
• Calculated formula: C20 H26 N2 O4 S
• SMILES: c1cccc2c1nc(c(n2)C)SC[C@H]1OC(O[C@@H]1[C@@H]1COC(O1)(C)C)(C)C.c1cccc2c1nc(c(n2)C)SC[C@@H]1OC(O[C@H]1[C@H]1COC(O1)(C)C)(C)C
• Title of publication: Crystal Structure of 2-S-(1′-Deoxy-2′,3′:4′,5′-di-O-isopropylidene-D,L-xylit-1′-ylthio)-3-methylquinoxaline
• Authors of publication: Mondieig, D.; Négrier, Ph.; Léger, J. M.; Massip, S.; Benali, B.; Jermoumi, C.; Lakhrissi, B.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 1
• a: 14.59 ± 0.003 Å
• b: 9.6772 ± 0.0019 Å
• c: 28.074 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3963.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No