Information card for entry 8101077

Structure parameters

• Formula: C22 H26 O5
• Calculated formula: C22 H26 O5
• SMILES: O=C(OC)[C@]12O[C@@]([C@H]3[C@@H]1[C@@H]1C(=C)C(=C)[C@H]3C1)(C(=O)OC)[C@H]1[C@@H]3CC[C@H]([C@@H]21)C3
• Title of publication: Crystal structure of dimethyl 4,5-dimethylene-15-oxahexa-cyclo-[6.6.1.1 ^3,6^.1^10,13^.0^2,7^.0^9,14^]heptane heptan-1,8-dicarboxylate, C~22~H~26~O~5~
• Authors of publication: Liu, L.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 533 - 534
• a: 35.926 ± 0.009 Å
• b: 5.968 ± 0.004 Å
• c: 22.604 ± 0.005 Å
• α: 90°
• β: 127.58 ± 0.01°
• γ: 90°
• Cell volume: 3841 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No