Information card for entry 1577401

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: 13.90861 ± 0.00009 Å
• b: 8.59323 ± 0.00006 Å
• c: 10.50182 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1255.18 ± 0.015 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No