Information card for entry 8100221

Structure parameters

• Formula: C18 H16 O3
• Calculated formula: C18 H16 O3
• SMILES: O1C(=O)[C@@H]2[C@H](c3c([C@H](O)[C@@H]2C1)cccc3)c1ccccc1.O1C(=O)[C@H]2[C@@H](c3c([C@@H](O)[C@H]2C1)cccc3)c1ccccc1
• Title of publication: Crystal structure of (3aS,4S,9R,9aS)-4-hydroxy-9-phenyl-3a,4,9,9a- tetrahydro-3H-naphtho[2,3-c]furan-1-one, C~18~H~16~O~3~
• Authors of publication: Peters, K.; Peters, E.-M.; Rebien, F.; Maurer, M.; Linker, T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 481 - 482
• a: 8.284 ± 0.001 Å
• b: 9.524 ± 0.001 Å
• c: 17.729 ± 0.001 Å
• α: 90°
• β: 93.69 ± 0.01°
• γ: 90°
• Cell volume: 1395.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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