Information card for entry 1506360

Structure parameters

• Formula: C24 H19 N
• Calculated formula: C24 H19 N
• SMILES: N(c1ccc(C#Cc2c3ccccc3cc3ccccc23)cc1)(C)C
• Title of publication: Highly fluorescent N,N-dimethylaminophenylethynylarenes: synthesis, photophysical properties, and electrochemiluminescence.
• Authors of publication: Ho, Tong-Ing; Elangovan, Arumugasamy; Hsu, Hsien-Yi; Yang, Shu-Wen
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2005
• Journal volume: 109
• Journal issue: 18
• Pages of publication: 8626 - 8633
• a: 9.204 ± 0.0002 Å
• b: 9.325 ± 0.0002 Å
• c: 11.096 ± 0.0003 Å
• α: 72.871 ± 0.002°
• β: 80.424 ± 0.001°
• γ: 71.413 ± 0.001°
• Cell volume: 859.86 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.1361
• Weighted residual factors for significantly intense reflections: 0.1232
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No