Information card for entry 4114262

Structure parameters

• Common name: 3,5-dihydroxy-benzoic_acid_penta-2,4-diynyl_ester _polymer_N,N'bis-pyridin-4-ylmethyloxalamide
• Formula: C26 H22 N4 O6
• Calculated formula: C26 H22 N4 O6
• Title of publication: Single-Crystal-to-Single-Crystal Topochemical Polymerizations of a Terminal Diacetylene: Two Remarkable Transformations Give the Same Conjugated Polymer
• Authors of publication: Xi Ouyang; Frank W. Fowler; Joseph W. Lauher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12400 - 12401
• a: 14.568 ± 0.012 Å
• b: 4.912 ± 0.004 Å
• c: 33.07 ± 0.03 Å
• α: 90°
• β: 91.913 ± 0.013°
• γ: 90°
• Cell volume: 2365 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1961
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No