Information card for entry 2101261

Structure parameters

• Formula: C6 H12 O6
• Calculated formula: C3 H6 O3
• SMILES: OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@H]1O)O)O
• Title of publication: Attempted prediction of the crystal structures of six monosaccharides
• Authors of publication: van Eijck, B. P.; Mooij, W. T. M.; Kroon, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 99 - 103
• a: 7.49 Å
• b: 7.78 Å
• c: 11.66 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 679.454 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No