Information card for entry 7009961

Structure parameters

• Formula: C8 H14 O6
• Calculated formula: C8 H14 O6
• SMILES: O[C@H]1O[C@H]2[C@@H](O[C@@H](OC2)C)[C@H](O)[C@H]1O
• Title of publication: N-Glycosylamines of 4,6-O-ethylidene-α-D-glucopyranose: synthesis, characterisation and structure of CO2H, Cl and F ortho-substituted phenyl derivatives and metal ion complexes of the CO2H derivative†
• Authors of publication: Sah, Ajay K.; Rao, Chebrolu P.; Saarenketo, Pauli K.; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3681
• a: 5.012 ± 0.001 Å
• b: 6.738 ± 0.001 Å
• c: 13.748 ± 0.004 Å
• α: 90°
• β: 97.31 ± 0.01°
• γ: 90°
• Cell volume: 460.51 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections: 0.1323
• Weighted residual factors for significantly intense reflections: 0.1142
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No