Information card for entry 1506462

Structure parameters

• Common name: 04236c
• Formula: C40 H20 F24
• Calculated formula: C40 H20 F24
• SMILES: C1(C(C(C1/C=C/c1c(cc(cc1)C(F)(F)F)C(F)(F)F)c1c(cc(cc1)C(F)(F)F)C(F)(F)F)/C=C/c1c(cc(cc1)C(F)(F)F)C(F)(F)F)c1c(cc(cc1)C(F)(F)F)C(F)(F)F
• Title of publication: Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization.
• Authors of publication: Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1007 - 1010
• a: 8.1348 ± 0.001 Å
• b: 13.1474 ± 0.0017 Å
• c: 20.118 ± 0.003 Å
• α: 101.643 ± 0.002°
• β: 99.396 ± 0.002°
• γ: 98.559 ± 0.002°
• Cell volume: 2042 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No