Information card for entry 7235530

Structure parameters

• Formula: C18 H24 Cl N O12
• Calculated formula: C18 H24 Cl N O12
• Title of publication: Regioselective opening of unsymmetrical cyclic anhydrides: synthesis of N-glycosylated isoasparagine and isoglutamine conjugates
• Authors of publication: Sahoo, Laxminarayan; Singhamahapatra, Anadi; Ramkumar, Vankatachalam; Loganathan, Duraikkannu
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 42
• Pages of publication: 22042
• a: 11.9031 ± 0.0009 Å
• b: 9.4411 ± 0.0005 Å
• c: 19.8615 ± 0.0015 Å
• α: 90°
• β: 94.702 ± 0.002°
• γ: 90°
• Cell volume: 2224.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No