Information card for entry 4020290

Structure parameters

• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C3=C([C@@H]2[C@H]2[C@@H]1C2C(=O)OCC)[C@@H]1CC[C@H]3C1
• Authors of publication: Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5403 - 5408
• a: 7.1847 ± 0.0013 Å
• b: 19.703 ± 0.004 Å
• c: 11.927 ± 0.002 Å
• α: 90°
• β: 98.777 ± 0.004°
• γ: 90°
• Cell volume: 1668.6 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• 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