Information card for entry 2000196

Structure parameters

• Formula: C9 H12 O3
• Calculated formula: C9 H12 O3
• SMILES: O1C(=O)C=C[C@H]1[C@@H]1OCCCC1.O1C(=O)C=C[C@@H]1[C@H]1OCCCC1
• Title of publication: Structure of (2'<i>R</i>*,5<i>S</i>*)-(±)-5-(tetrahydro-2'<i>H</i>-pyran-2'-yl)-2(5<i>H</i>)-furanone
• Authors of publication: Ammon, H. L.; DeShong, P.; Lessen, T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 2488 - 2489
• a: 5.5385 ± 0.0006 Å
• b: 8.543 ± 0.001 Å
• c: 10.373 ± 0.001 Å
• α: 113.329 ± 0.009°
• β: 100.78 ± 0.01°
• γ: 99.82 ± 0.01°
• Cell volume: 426.13 ± 0.09 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No