Information card for entry 1551582

Structure parameters

• Formula: C12 H25 N O13
• Calculated formula: C12 H25 N O13
• SMILES: O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)N)[C@@]1(O[C@@H]([C@@H](O)[C@@H]1O)CO)CO.O.O
• Title of publication: Crystal Structure of β-D-Fructofuranosyl-[2↔1]-6-amido-6-deoxy-α-D-glucopyranoside
• Authors of publication: FUJIMOTO, Takashi; NISHIO, Toshiyuku; HOSAKA, Hiroki; MIZOGUCHI, Saori; TASHIRO, Mitsuru
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 63
• a: 6.914 ± 0.0005 Å
• b: 7.7202 ± 0.0005 Å
• c: 8.7383 ± 0.0007 Å
• α: 79.467 ± 0.006°
• β: 73.033 ± 0.005°
• γ: 67.106 ± 0.005°
• Cell volume: 409.71 ± 0.05 ų
• Cell temperature: 138 K
• Ambient diffraction temperature: 138 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No