Information card for entry 4101235

Structure parameters

• Formula: C15 H15 Cl O4
• Calculated formula: C15 H15 Cl O4
• SMILES: Cl[C@@]1([C@H](c2ccccc2)C[C@H]2O[C@H]2C1=O)C(=O)OCC
• Authors of publication: Overgaard, Jacob
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 7.0168 ± 0.0002 Å
• b: 8.4454 ± 0.0002 Å
• c: 24.1473 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1430.96 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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