Information card for entry 4120387

Structure parameters

• Common name: cis-1, irradiated
• Formula: C12 H Br2 F8 N2
• Calculated formula: C12 Br2 F8 N2
• SMILES: c1(c(c(/N=N/c2c(c(c(Br)c(c2F)F)F)F)c(c(c1Br)F)F)F)F
• Title of publication: Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes
• Authors of publication: Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12556 - 12559
• a: 8.894 ± 0.018 Å
• b: 7.79 ± 0.016 Å
• c: 10.57 ± 0.02 Å
• α: 90°
• β: 109.553 ± 0.019°
• γ: 90°
• Cell volume: 690 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1293
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.2855
• Weighted residual factors for all reflections included in the refinement: 0.3035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No