Information card for entry 4020186

Structure parameters

• Formula: C16 H17 As F6 O4
• Calculated formula: C16 H17 As F6 O4
• SMILES: [As](F)(F)(F)(F)(F)[F-].O=C(O)c1ccc(cc1)C.[OH+]=C(O)c1ccc(cc1)C
• Authors of publication: S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 3263 - 3266
• a: 7.6413 ± 0.0005 Å
• b: 19.59 ± 0.0012 Å
• c: 12.4123 ± 0.0008 Å
• α: 90°
• β: 102.162 ± 0.001°
• γ: 90°
• Cell volume: 1816.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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