Information card for entry 1100292

Structure parameters

• Formula: C11 H14 O5
• Calculated formula: C11 H14 O5
• SMILES: O1C=C([C@H]2C[C@@H]1O[C@@H]([C@H]2C=O)C)C(=O)OC
• Title of publication: Methyl (1S,5S,6S,7R)-6-formyl-7-methyl-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate
• Authors of publication: Harms, K.; Jones, P. G.; Sheldrick, G. M.; Tietze, L. F.; Uzar, H. C.
• Journal of publication: Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
• Year of publication: 1980
• Journal volume: 36
• Journal issue: 12
• Pages of publication: 3156 - 3157
• a: 8.116 ± 0.004 Å
• b: 9.684 ± 0.004 Å
• c: 13.998 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.18 ų
• 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