Information card for entry 7032778

Structure parameters

• Formula: C30 H21 N3 O
• Calculated formula: C30 H21 N3 O
• SMILES: c1cccc(c2cc(cc(c3ccccn3)n2)c2ccc(cc2)C#Cc2ccc(cc2)OC)n1
• Title of publication: Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes.
• Authors of publication: Ghosh, Biswa Nath; Topić, Filip; Sahoo, Prasit Kumar; Mal, Prasenjit; Linnera, Jarno; Kalenius, Elina; Tuononen, Heikki M.; Rissanen, Kari
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 254 - 267
• a: 16.6843 ± 0.0005 Å
• b: 8.3034 ± 0.0003 Å
• c: 16.354 ± 0.0004 Å
• α: 90°
• β: 103.31 ± 0.0016°
• γ: 90°
• Cell volume: 2204.77 ± 0.12 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No