Information card for entry 4020349

Structure parameters

• Formula: C26 H12 Br F5
• Calculated formula: C26 H12 Br F5
• SMILES: Brc1ccc2ccccc2c1c1c2ccccc2ccc1c1c(F)c(F)c(F)c(F)c1F
• Authors of publication: Darryl J. Morrison; Tyler K. Trefz; Warren E. Piers; Robert McDonald; Masood Parvez
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5309 - 5312
• a: 7.096 ± 0.002 Å
• b: 11.347 ± 0.003 Å
• c: 12.659 ± 0.004 Å
• α: 98.315 ± 0.009°
• β: 95.017 ± 0.009°
• γ: 101.142 ± 0.017°
• Cell volume: 982.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No