Information card for entry 7235004

Structure parameters

• Chemical name: 2-(trimethylsilyl)ethyl-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranosyl-(1->2)-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranosyl-(1->2)-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranoside
• Formula: C44 H59 N9 O10 Si
• Calculated formula: C44 H59 N9 O10 Si
• Title of publication: Towards the complete synthetic O-antigen of Vibrio cholerae O1, serotype inaba: improved synthesis of the conjugation-ready upstream terminal hexasaccharide determinant
• Authors of publication: Mukherjee, Mana Mohan; Xu, Peng; Stevens, Edwin D.; Kováč, Pavol
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 62
• Pages of publication: 36440
• a: 11.53 ± 0.003 Å
• b: 16.862 ± 0.004 Å
• c: 25.697 ± 0.006 Å
• α: 90°
• β: 98.067 ± 0.004°
• γ: 90°
• Cell volume: 4947 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No