Information card for entry 1100346

Structure parameters

• Formula: C8 H6 F6 O6 S2
• Calculated formula: C8 F6 O6 S2
• SMILES: S(=O)(=O)(O/C=C1\C(=CCC1)OS(=O)(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Regiocontrol in Pd(0)-Mediated Couplings of a Bis(enol triflate) with Alkynes ‒ Stereoselective Syntheses of Monocyclic Dienediynes Related to the Neocarzinostatin Chromophore
• Authors of publication: Scheuplein, Stefan W.; Harms, Klaus; Brückner, Reinhard; Suffert, Jean
• Journal of publication: Chemische Berichte
• Year of publication: 1992
• Journal volume: 125
• Journal issue: 1
• Pages of publication: 271 - 278
• a: 9.612 ± 0.002 Å
• b: 14.335 ± 0.002 Å
• c: 9.814 ± 0.002 Å
• α: 90°
• β: 97.53 ± 0.01°
• γ: 90°
• Cell volume: 1340.59 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No