Information card for entry 1577399

Structure parameters

• Formula: C14 H12 N4
• Calculated formula: C14 H12 N4
• Title of publication: Large Stokes shift fluorophores from meta-substituted zwitterions
• Authors of publication: Hogan, David Thomas; Krappe, Alexander R.; Feyerherm, R.; Weber, Manuela; Resch-Genger, Ute; Eigler, Siegfried
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 8.0059 ± 0.0003 Å
• b: 7.6326 ± 0.0003 Å
• c: 19.6494 ± 0.0008 Å
• α: 90°
• β: 96.704 ± 0.003°
• γ: 90°
• Cell volume: 1192.48 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.067
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No