Information card for entry 2000680

Structure parameters

• Formula: C9 H18 O3
• Calculated formula: C9 H18 O3
• SMILES: O=C(CC(O)(C)C)CC(O)(C)C
• Title of publication: Structure of 2,6-dihydroxy-2,6-dimethylheptan-4-one
• Authors of publication: Romero, R. R.; Cervantes-Lee, F.; Porter, L. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1442 - 1444
• a: 10.496 ± 0.003 Å
• b: 17.305 ± 0.004 Å
• c: 7.5 ± 0.002 Å
• α: 90°
• β: 128.94 ± 0.02°
• γ: 90°
• Cell volume: 1059.6 ± 0.6 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No