Information card for entry 4020178

Structure parameters

• Formula: C23 H18 N2
• Calculated formula: C23 H18 N2
• SMILES: n1c2ccccc2c(c2ccccc12)C#Cc1ccc(N(C)C)cc1
• Authors of publication: Arumugasamy Elangovan; Kuo-Ming Kao; Shu-Wen Yang; Yu-Ling Chen; Tong-Ing Ho; Yuhlong Oliver Su
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4460 - 4469
• 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 ± 0.03 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 significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1278
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No