Information card for entry 8100220

Structure parameters

• Formula: C18 H16 O3
• Calculated formula: C18 H16 O3
• SMILES: C1(=C[C@H](O)c2ccccc2[C@H]1c1ccccc1)C(=O)OC.C1(=C[C@@H](O)c2ccccc2[C@@H]1c1ccccc1)C(=O)OC
• Title of publication: Crystal structure of methyl (1R,4S)-4-hydroxy-1-phenyl-1,4-dihydro- naphthalene-2-carboxylate, C~18~H~16~O~3~
• Authors of publication: Peters, K.; Peters, E.-M.; Rebien, F.; Engelhardt, U.; Linker, T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 479 - 480
• a: 28.674 ± 0.004 Å
• b: 8.133 ± 0.001 Å
• c: 13.065 ± 0.002 Å
• α: 90°
• β: 108.96 ± 0.01°
• γ: 90°
• Cell volume: 2881.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No