Information card for entry 2241487

Structure parameters

• Chemical name: 2-(Thiophen-3-yl)ethyl pyrene-1-carboxylate
• Formula: C23 H16 O2 S
• Calculated formula: C23 H16 O2 S
• Title of publication: Crystal structure of 2-(thiophen-3-yl)ethyl pyrene-1-carboxylate
• Authors of publication: Valderrama-García, Bianca X.; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David; Rivera, Ernesto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o926 - o927
• a: 12.02 ± 0.009 Å
• b: 7.576 ± 0.006 Å
• c: 18.521 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1687 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes