Information card for entry 4021174

Structure parameters

• Formula: C19 H18 O6
• Calculated formula: C19 H18 O6
• SMILES: C1(=O)C(=C2CC(CC=C2CO1)(C(=O)OC)C(=O)OC)c1ccccc1
• Title of publication: Neighboring Group Effect in Pd-Catalyzed Carbonylation Terminated by Lactonization: A Need for a Protective Group and/or DMF
• Authors of publication: Radan Schiller; Milan Pour; Helena Fáková; Jiři Kuneš; Ivana Císařová
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6761 - 6765
• a: 12.212 ± 0.0002 Å
• b: 9.663 ± 0.0002 Å
• c: 14.228 ± 0.0003 Å
• α: 90°
• β: 97.366 ± 0.0014°
• γ: 90°
• Cell volume: 1665.11 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No