Information card for entry 2311699

Structure parameters

• Chemical name: TW-10-14 1,8-di(iodoethynyl)anthracene, 1,2-bis(4-pyridyl)ethane
• Formula: C30 H20 I2 N2
• Calculated formula: C30 H20 I2 N2
• Title of publication: A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
• Authors of publication: Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 2
• Pages of publication: 163 - 167
• a: 9.5153 ± 0.0016 Å
• b: 9.6261 ± 0.0016 Å
• c: 14.368 ± 0.003 Å
• α: 96.346 ± 0.005°
• β: 93.215 ± 0.005°
• γ: 103.295 ± 0.004°
• Cell volume: 1268.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No