Information card for entry 4021100

Structure parameters

• Formula: C14 H22 O5
• Calculated formula: C14 H22 O5
• SMILES: O1C[C@H]1[C@@H]1O[C@@H]([C@H](O)C1)/C=C/C1OCC(CO1)(C)C
• Title of publication: A Flexible Enantioselective Synthesis of the Isofurans
• Authors of publication: Douglass F. Taber; Yongchun Pan; Xia Zhao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7234 - 7240
• a: 5.546 ± 0.002 Å
• b: 9.811 ± 0.004 Å
• c: 26.178 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1424.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No