Information card for entry 2009632

Structure parameters

• Formula: C17 H9 N S
• Calculated formula: C17 H8 N S
• SMILES: s1c(ccc1)C#CC#Cc1cc2ccccc2nc1
• Title of publication: 1-(3-Quinolyl)-4-(2-thienyl)-1,3-butadiyne, C~17~H~9~NS
• Authors of publication: Barrow, M. J.; Milburn, G. H. W.; Zeng, Z.; Sarkar, A.; Talwar, S. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 650 - 652
• a: 6.98 ± 0.02 Å
• b: 29.76 ± 0.02 Å
• c: 12.491 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2595 ± 8 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No