Information card for entry 4100622

Structure parameters

• Formula: C12 H24 O2
• Calculated formula: C12 H24 O2
• SMILES: C1(C[C@H]([C@@H](C1)C)C(C)(C)C)(CO)CO.C1(C[C@@H]([C@H](C1)C)C(C)(C)C)(CO)CO
• Authors of publication: Price, C.P.; Grzesiak, A.L.; Matzger, A.J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 17.543 ± 0.003 Å
• b: 6.1234 ± 0.001 Å
• c: 12.0521 ± 0.0019 Å
• α: 90°
• β: 105.708 ± 0.004°
• γ: 90°
• Cell volume: 1246.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No