Information card for entry 7234543

Structure parameters

• Formula: C15 H12 N4
• Calculated formula: C15 H12 N4
• Title of publication: Effect of intercalation and chromophore arrangement on the linear and nonlinear optical properties of model aminopyridine push-pull molecules
• Authors of publication: Filip Bures; Daniel Cvejn; Klara Melanova; Ludvik Benes; Jan Svoboda; Vitezslav Zima; Oldrich Pytela; Tomas Mikysek; Zdenka Ruzickova; I. V. Kityk; Artur Wojciechowski; Nasser AlZayed
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 468 - 478
• a: 8.708 ± 0.0004 Å
• b: 15.9311 ± 0.0009 Å
• c: 9.559 ± 0.0006 Å
• α: 90°
• β: 111.714 ± 0.004°
• γ: 90°
• Cell volume: 1232 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No