Information card for entry 2000224

Structure parameters

• Formula: C7 H16 O7
• Calculated formula: C7 H16 O7
• SMILES: OC[C@H]([C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O.OC[C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
• Title of publication: Structure of racemic perseitol (<small>D</small>,<small>L</small>-<i>glycero</i>-<small>D</small>,<small>L</small>-<i>galacto</i>-heptitol)
• Authors of publication: Kopf, J.; Morf, M.; Zimmer, B.; Bischoff, M.; Köll, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 2186 - 2188
• a: 20.888 ± 0.001 Å
• b: 4.858 ± 0.001 Å
• c: 9.221 ± 0.001 Å
• α: 90°
• β: 99.888 ± 0.005°
• γ: 90°
• Cell volume: 921.8 ± 0.2 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Diffraction radiation wavelength: 1.54051 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No