Information card for entry 2210098

Structure parameters

• Chemical name: 5-(Fluoren-9-ylidenemethyl)thiophene-2-carbaldehyde
• Formula: C19 H12 O S
• Calculated formula: C19 H12 O S
• SMILES: c12ccccc1c1ccccc1C2=Cc1sc(cc1)C=O
• Title of publication: 5-(Fluoren-9-ylidenemethyl)thiophene-2-carbaldehyde
• Authors of publication: Perašínová, Lucia; Štefko, Martin; Végh, Daniel; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3972 - o3973
• a: 8.146 ± 0.002 Å
• b: 24.075 ± 0.005 Å
• c: 6.607 ± 0.001 Å
• α: 90°
• β: 96.93 ± 0.03°
• γ: 90°
• Cell volume: 1286.3 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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 all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes