Information card for entry 4032097

Structure parameters

• Formula: C23 H22 N4
• Calculated formula: C23 H22 N4
• SMILES: n1c(c(nc2c1cccc2)c1c2c(n(c1)C)cccc2)/C=C/N1CCCC1
• Title of publication: Four- and Five-Component Syntheses and Photophysical Properties of Emission Solvatochromic 3-Aminovinylquinoxalines.
• Authors of publication: Gers-Panther, Charlotte F; Fischer, Henry; Nordmann, Jan; Seiler, Theresa; Behnke, Thomas; Würth, Christian; Frank, Walter; Resch-Genger, Ute; Müller, Thomas J J
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 567 - 578
• a: 7.7553 ± 0.0006 Å
• b: 9.9664 ± 0.0007 Å
• c: 12.7439 ± 0.001 Å
• α: 96.96 ± 0.009°
• β: 91.765 ± 0.01°
• γ: 107.208 ± 0.009°
• Cell volume: 931.67 ± 0.13 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No