Information card for entry 4032042

Structure parameters

• Formula: C25 H17 N3
• Calculated formula: C25 H17 N3
• SMILES: c1cccc(c2cc(cc(c3ccccn3)n2)c2ccc3cccccc23)n1
• Title of publication: Synthesis and properties of fluorescent 4'-azulenyl-functionalized 2,2':6',2″-terpyridines.
• Authors of publication: Ion, Adrian E.; Cristian, Liliana; Voicescu, Mariana; Bangesh, Masroor; Madalan, Augustin M.; Bala, Daniela; Mihailciuc, Constantin; Nica, Simona
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2016
• Journal volume: 12
• Pages of publication: 1812 - 1825
• a: 6.011 ± 0.0004 Å
• b: 9.5419 ± 0.0006 Å
• c: 31.23 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1791.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No