Information card for entry 2217042

Structure parameters

• Chemical name: 2-(9H-Fluoren-9-ylidenemethyl)thiophene
• Formula: C18 H12 S
• Calculated formula: C18 H12 S
• SMILES: c1csc(c1)C=C1c2ccccc2c2c1cccc2
• Title of publication: 2-(9<i>H</i>-Fluoren-9-ylidenemethyl)thiophene
• Authors of publication: Perašínová, Lucia,; Martin Štefko; Végh, Daniel; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o274 - o274
• a: 20.757 ± 0.004 Å
• b: 44.434 ± 0.009 Å
• c: 5.626 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5189 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes