Information card for entry 1520453

Structure parameters

• Formula: C28 H19 N4 O
• Calculated formula: C28 H19 N4 O
• SMILES: O=C1N([N]C(=NN1c1ccccc1)c1c2ccccc2cc2ccccc12)c1ccccc1
• Title of publication: Profluorescent verdazyl radicals ‒ synthesis and characterization
• Authors of publication: Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4712
• a: 11.7763 ± 0.0013 Å
• b: 5.828 ± 0.0003 Å
• c: 16.1543 ± 0.0009 Å
• α: 90°
• β: 104.773 ± 0.006°
• γ: 90°
• Cell volume: 1072.06 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No