Information card for entry 1100275

Structure parameters

• Formula: C10 H14 O4
• Calculated formula: C10 H14 O4
• SMILES: O1C=C([C@H]([C@H]2CCC[C@@]12OC)O)C=O.O1C=C([C@@H]([C@@H]2CCC[C@]12OC)O)C=O
• Title of publication: Diels-alder reactions of malondialdehyde derivatives with reversed electron demand; an easy approach to structurally unique carbohydrates and compounds of the thromboxane type
• Authors of publication: Tietze, Lutz-F.; Glüsenkamp, Karl-Heinz; Harms, Klaus; Remberg, Gert; Sheldrick, George M.
• Journal of publication: Tetrahedron Letters
• Year of publication: 1982
• Journal volume: 23
• Journal issue: 11
• Pages of publication: 1147 - 1150
• a: 12.799 ± 0.005 Å
• b: 5.977 ± 0.005 Å
• c: 13.083 ± 0.006 Å
• α: 90°
• β: 104.36 ± 0.05°
• γ: 90°
• Cell volume: 969.57 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No