Information card for entry 8100012

Structure parameters

• Formula: C19 H20 O3
• Calculated formula: C19 H20 O3
• SMILES: O=C1[C@@H]([C@H](Cc2cccc3ccccc23)C(=O)OC)CCC1.O=C1[C@H]([C@@H](Cc2cccc3ccccc23)C(=O)OC)CCC1
• Title of publication: Crystal structure of (2SR,1'RS)-3-(1-naphthyl)-2-(2-oxocyclopentyl)- propionic acid methyl ester, C~19~H~20~O~3~
• Authors of publication: Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 1
• Pages of publication: 47 - 48
• a: 9.2143 ± 0.0019 Å
• b: 18.47 ± 0.004 Å
• c: 10.194 ± 0.002 Å
• α: 90°
• β: 113.451 ± 0.004°
• γ: 90°
• Cell volume: 1591.6 ± 0.6 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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