Information card for entry 1573314

Structure parameters

• Common name: R2
• Chemical name: 2-((5-(dibenzo[b,d]furan-4-yl)thiophen-2-yl)methylene)malononitrile
• Formula: C20 H10 N2 O S
• Calculated formula: C20 H10 N2 O S
• a: 8.5408 ± 0.00004 Å
• b: 16.20195 ± 0.00011 Å
• c: 22.03161 ± 0.00013 Å
• α: 90°
• β: 92.7345 ± 0.0005°
• γ: 90°
• Cell volume: 3045.21 ± 0.03 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No