Information card for entry 4114817

Structure parameters

• Chemical name: 1,4-dimethoxy-2,5-bis(2-pyridyl)benzene
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H15.633 N2 O2
• Title of publication: Protonation and Subsequent Intramolecular Hydrogen Bonding as a Method to Control Chain Structure and Tune Luminescence in Heteroatomic Conjugated Polymers
• Authors of publication: Andrew P. Monkman; Lars-Olof Pålsson; Roger W. T. Higgins; Changsheng Wang; Martin R. Bryce; Andrei S. Batsanov; Judith A. K. Howard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6049 - 6055
• a: 9.4724 ± 0.0013 Å
• b: 16.6094 ± 0.0014 Å
• c: 18.744 ± 0.002 Å
• α: 90°
• β: 97.183 ± 0.008°
• γ: 90°
• Cell volume: 2925.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.1499
• Weighted residual factors for significantly intense reflections: 0.128
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No