Information card for entry 7019704

Structure parameters

• Chemical name: 1,1-di(trifluoromethyl)-2-(9H-fluoren-9-ylidene)-ethene
• Formula: C17 H8 F6
• Calculated formula: C17 H8 F6
• SMILES: FC(F)(F)C(=C=C1c2ccccc2c2ccccc12)C(F)(F)F
• Title of publication: Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.
• Authors of publication: Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9073 - 9082
• a: 7.266 ± 0.002 Å
• b: 20.145 ± 0.006 Å
• c: 9.725 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1423.5 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No