Information card for entry 4020697

Structure parameters

• Formula: C30 H14 F8 O
• Calculated formula: C30 H14 F8 O
• SMILES: FC1(F)c2c3c4c(cc2)C(F)(F)C(F)(F)c2c5c(c(C1(F)F)cc2)[C@@H]1[C@]26O[C@@]6([C@@H]4C=C[C@@H]32)[C@H]5c2c1cccc2
• Title of publication: A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene
• Authors of publication: William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10336 - 10341
• a: 9.2818 ± 0.0007 Å
• b: 14.745 ± 0.002 Å
• c: 15.9431 ± 0.0011 Å
• α: 90°
• β: 105.49 ± 0.002°
• γ: 90°
• Cell volume: 2102.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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