Information card for entry 2311696

Structure parameters

• Formula: C38 H24 I2 N4
• Calculated formula: C38 H24 I2 N4
• 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: 9.7245 ± 0.0004 Å
• b: 10.1191 ± 0.0004 Å
• c: 17.5288 ± 0.0007 Å
• α: 87.839 ± 0.003°
• β: 80.433 ± 0.004°
• γ: 70.331 ± 0.004°
• Cell volume: 1601.35 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 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: 0.0629
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No