Information card for entry 4104907

Structure parameters

• Formula: C32 H26 N6 O6
• Calculated formula: C32 H26 N6 O6
• SMILES: N12Cc3c(C#Cc4ccncc4)ccc(C#Cc4ccncc4)c3CN3C(=O)NC(C13C(=O)OCC)(C(=O)OCC)NC2=O
• Title of publication: Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks
• Authors of publication: Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11695 - 11697
• a: 9.0638 ± 0.0007 Å
• b: 24.795 ± 0.0018 Å
• c: 12.9383 ± 0.0009 Å
• α: 90°
• β: 94.374 ± 0.001°
• γ: 90°
• Cell volume: 2899.2 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• 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: 0.079
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No