Information card for entry 8100788

Structure parameters

• Formula: C22 H16 O5
• Calculated formula: C22 H16 O5
• SMILES: O1[C@H]([C@@H]2[C@H](C1=O)C(=O)Oc1ccc3ccccc3c21)c1ccc(OC)cc1.O1[C@@H]([C@H]2[C@@H](C1=O)C(=O)Oc1ccc3ccccc3c21)c1ccc(OC)cc1
• Title of publication: Crystal structure of 1-(4-methoxyphenyl)-1,3a,4,11c-tetrahydro-3H- benzo[f]furo[3,4-c]chromen-3,4-dione, C~22~H~16~O~5~
• Authors of publication: Greatrex, B.; Jevric, M.; Kimber, M. C.; Krivickas, S. J.; Taylor, D. K.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 587 - 588
• a: 8.328 ± 0.0006 Å
• b: 11.9444 ± 0.0008 Å
• c: 17.1876 ± 0.0012 Å
• α: 90°
• β: 100.226 ± 0.002°
• γ: 90°
• Cell volume: 1682.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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