Information card for entry 1506909

Structure parameters

• Formula: C43 H30 N6 O
• Calculated formula: C43 H30 N6 O
• SMILES: O(c1cc(c2cc(nc(c2)c2ncccc2)c2ncccc2)cc(c2cc(nc(c2)c2ncccc2)c2ncccc2)c1)Cc1ccccc1
• Title of publication: Synthesis, X-ray structure, and self-assembly of functionalized bis(2,2':6',2' '-terpyridinyl)arenes.
• Authors of publication: Wang, Pingshan; Moorefield, Charles N.; Newkome, George R.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1197 - 1200
• a: 8.8878 ± 0.0018 Å
• b: 13.261 ± 0.003 Å
• c: 15.659 ± 0.003 Å
• α: 65.805 ± 0.003°
• β: 85.892 ± 0.004°
• γ: 72.284 ± 0.004°
• Cell volume: 1600.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No