Information card for entry 1100286

Structure parameters

• Formula: C14 H18 O7
• Calculated formula: C14 H18 O7
• SMILES: [C@H]1(OC=C([C@H]2CCC[C@@]12OC(=O)C)C(=O)OC)OC(=O)C.[C@@H]1(OC=C([C@@H]2CCC[C@]12OC(=O)C)C(=O)OC)OC(=O)C
• Title of publication: Structure of an iridoid-like photolysis product
• Authors of publication: Harms, K.; Jones, P. G.; Sheldrick, G. M.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1986
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 1661 - 1662
• a: 5.615 ± 0.002 Å
• b: 8.013 ± 0.001 Å
• c: 16.673 ± 0.004 Å
• α: 89.98 ± 0.02°
• β: 87.9 ± 0.02°
• γ: 85.07 ± 0.02°
• Cell volume: 746.89 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No