Information card for entry 7104229

Structure parameters

• Common name: 1,12:3,4:6,7:9,10-tetraepiselenocycloocta(1,2-c:3,4-c':5,6- c'':7,8-c''')\ tetrathiophene
• Chemical name: 1,12:3,4:6,7:9,10-tetraepiselenocycloocta[1,2-c:3,4-c':5,6-c":7,8-c"']\ tetrathiophene
• Formula: C16 S4.683 Se3.317
• Calculated formula: C16 S4.686 Se3.314
• Title of publication: Supramolecular assembly of heterocirculenes in 2D and 3D.
• Authors of publication: Ivasenko, Oleksandr; Macleod, Jennifer M; Chernichenko, Konstantin Yu; Balenkova, Elizabeth S; Shpanchenko, Roman V; Nenajdenko, Valentine G; Rosei, Federico; Perepichka, Dmitrii F
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1192 - 1194
• a: 4.029 ± 0.0008 Å
• b: 16.68 ± 0.003 Å
• c: 11.27 ± 0.002 Å
• α: 90°
• β: 94.3 ± 0.03°
• γ: 90°
• Cell volume: 755.3 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for significantly intense reflections: 1.35
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No