Information card for entry 4329572

Structure parameters

• Formula: C50 H32 N6
• Calculated formula: C50 H32 N6
• SMILES: c1(cccc2cc3cccc(c3cc12)C#Cc1ccc(cc1)N(c1ccccn1)c1ccccn1)C#Cc1ccc(cc1)N(c1ccccn1)c1ccccn1
• Title of publication: Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes
• Authors of publication: Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7039 - 7049
• a: 20.3101 ± 0.0009 Å
• b: 9.0336 ± 0.0003 Å
• c: 20.0894 ± 0.0009 Å
• α: 90°
• β: 99.057 ± 0.002°
• γ: 90°
• Cell volume: 3639.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1592
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No