Information card for entry 7059820

Structure parameters

• Formula: C20 H28 N6
• Calculated formula: C20 H28 N6
• Title of publication: Structure controlled solvatochromism and halochromic fluorescence switching of 2,2′-bipyridine based donor‒acceptor derivatives
• Authors of publication: Nagarasu, Palaniyappan; Kundu, Anu; Pitchaimani, Jayaraman; Anthony, Savarimuthu Philip; Moon, Dohyun; Madhu, Vedichi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 14421 - 14428
• a: 4.893 ± 0.001 Å
• b: 10.17 ± 0.002 Å
• c: 18.638 ± 0.004 Å
• α: 90°
• β: 91.05 ± 0.03°
• γ: 90°
• Cell volume: 927.3 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 3
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No