Information card for entry 2001079

Structure parameters

• Formula: C14 H14 O5
• Calculated formula: C14 H14 O5
• SMILES: O=C1O[C@H](C=C1c1ccccc1)[C@@](O)(C)C(=O)OC.O=C1O[C@@H](C=C1c1ccccc1)[C@](O)(C)C(=O)OC
• Title of publication: Structure of methyl 2-(2,5-dihydro-2-oxo-3-phenyl-5-furyl)lactate
• Authors of publication: Hynes, R. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 395 - 396
• a: 11.319 ± 0.003 Å
• b: 6.5115 ± 0.0015 Å
• c: 18.105 ± 0.005 Å
• α: 90°
• β: 105.66 ± 0.02°
• γ: 90°
• Cell volume: 1284.9 ± 0.6 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No