Information card for entry 1506908

Structure parameters

• Formula: C29 H22 N2 O3
• Calculated formula: C29 H22 N2 O3
• SMILES: O(c1cc(cc(c1)/C=C/C(=O)c1ncccc1)/C=C/C(=O)c1ncccc1)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: 12.665 ± 0.006 Å
• b: 13.21 ± 0.007 Å
• c: 13.883 ± 0.008 Å
• α: 104.02 ± 0.03°
• β: 95.65 ± 0.03°
• γ: 95.33 ± 0.02°
• Cell volume: 2226 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.129
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No