Information card for entry 2000957

Structure parameters

• Formula: C16 H14 O2
• Calculated formula: C16 H14 O2
• SMILES: Cc1c2[C@H]3C=C[C@@H](c2c2c(c1C)[C@H]1C=C[C@@H]2O1)O3.Cc1c2[C@@H]3C=C[C@H](c2c2c(c1C)[C@@H]1C=C[C@H]2O1)O3
• Title of publication: <i>rel</i>-(1<i>R</i>,4<i>S</i>,5<i>R</i>,8<i>S</i>)-1,4:5,8-Diepoxy-1,4,5,8-tetrahydro-9,10-dimethylphenanthrene
• Authors of publication: Kohnke, F. H.; Mathias, J. P.; Stoddart, J. F.; Slawin, A. M. Z.; Williams, D. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 663 - 665
• a: 8.134 ± 0.002 Å
• b: 8.877 ± 0.003 Å
• c: 16.681 ± 0.004 Å
• α: 90°
• β: 90.77 ± 0.02°
• γ: 90°
• Cell volume: 1204.4 ± 0.6 ų
• 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
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No