Information card for entry 4082210

Structure parameters

• Formula: C30 H18 F12
• Calculated formula: C30 H18 F12
• SMILES: c1c(C(F)(C(C(C(C(C(c2ccc(cc2)c2ccccc2)(F)F)(F)F)(F)F)(F)F)(F)F)F)ccc(c1)c1ccccc1
• Title of publication: Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings
• Authors of publication: Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7552
• a: 7.5726 ± 0.0007 Å
• b: 29.691 ± 0.003 Å
• c: 5.6935 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1280.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No