Information card for entry 1549602

Structure parameters

• Common name: (I4F16cb)2(bpe)
• Chemical name: rctt-tetrakis-(4-iodo-2,3,5,6-tetrafluorophenyl)cyclobutane, trans-1,2-bis-(4-pyridyl)-ethene
• Formula: C52 H24 F16 I4 N4
• Calculated formula: C52 H24 F16 I4 N4
• Title of publication: Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization
• Authors of publication: Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R.
• Journal of publication: IUCrJ
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 4
• a: 13.0184 ± 0.0013 Å
• b: 9.7153 ± 0.001 Å
• c: 19.986 ± 0.002 Å
• α: 90°
• β: 104.649 ± 0.005°
• γ: 90°
• Cell volume: 2445.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.031
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No