Information card for entry 2013744

Structure parameters

• Formula: C19 H15 N S2
• Calculated formula: C19 H15 N S2
• SMILES: c1ccc(cc1)Cn1c(ccc1c1cccs1)c1cccs1
• Title of publication: <i>N</i>-Benzyl-2,5-bis(2-thienyl)pyrrole
• Authors of publication: Palenzuela Conde, Jesús; Elsegood, Mark R. J.; Ryder, Karl S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o166 - o168
• a: 16.805 ± 0.0008 Å
• b: 10.0004 ± 0.0005 Å
• c: 18.6253 ± 0.0009 Å
• α: 90°
• β: 95.241 ± 0.002°
• γ: 90°
• Cell volume: 3117 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes