Information card for entry 7101781

Structure parameters

• Formula: C9 H8 B11 F2 I11
• Calculated formula: C9 H8 B11 F2 I11
• SMILES: Fc1ccc(cc1)C(F)C.I[B]1234[CH]567[B]891(I)[B]1%105(I)[B]5%116(I)[B]627(I)[B]27%11(I)[B]%11%105(I)[B]591(I)[B]138(I)[B]462(I)[B]7%1151I
• Title of publication: Isolating fluorinated carbocations.
• Authors of publication: Douvris, Christos; Stoyanov, Evgenii S; Tham, Fook S; Reed, Christopher A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1145 - 1147
• a: 10.1562 ± 0.0005 Å
• b: 21.8969 ± 0.0013 Å
• c: 15.0635 ± 0.0009 Å
• α: 90°
• β: 107.051 ± 0.002°
• γ: 90°
• Cell volume: 3202.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• 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
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No