Information card for entry 7151624

Structure parameters

• Common name: 9-[4-(N,N-Dimethylamino)phenyl]ethynyl-acridine
• Formula: C23 H18 N2
• Calculated formula: C23 H18 N2
• SMILES: n1c2ccccc2c(c2ccccc12)C#Cc1ccc(N(C)C)cc1
• Title of publication: Arylethynylacridines: electrochemiluminescence and photophysical properties.
• Authors of publication: Elangovan, Arumugasamy; Chiu, Hsing-Hua; Yang, Shu-Wen; Ho, Tong-Ing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 21
• Pages of publication: 3113 - 3118
• a: 9.287 ± 0.0002 Å
• b: 9.393 ± 0.0002 Å
• c: 10.735 ± 0.0003 Å
• α: 81.726 ± 0.001°
• β: 72.983 ± 0.001°
• γ: 71.805 ± 0.002°
• Cell volume: 849.25 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.1449
• Weighted residual factors for significantly intense reflections: 0.1278
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No