Information card for entry 1506464

Structure parameters

• Common name: 04255a
• Formula: C36 H20 F16
• Calculated formula: C36 H20 F16
• SMILES: C1(C(C(C1/C=C/c1c(cc(F)cc1)C(F)(F)F)c1c(cc(F)cc1)C(F)(F)F)/C=C/c1c(cc(F)cc1)C(F)(F)F)c1c(cc(F)cc1)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: 7.9641 ± 0.0008 Å
• b: 11.8791 ± 0.0012 Å
• c: 16.6095 ± 0.0017 Å
• α: 92.391 ± 0.002°
• β: 99.039 ± 0.002°
• γ: 94.984 ± 0.002°
• Cell volume: 1543.5 ± 0.3 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: 0.0602
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No