Information card for entry 1573315

Structure parameters

• Common name: R 6
• Chemical name: 2-((6-(dibenzo[b,d]furan-4-yl)pyridin-2-yl)methylene)malononitrile
• Formula: C21 H11 N3 O
• Calculated formula: C21 H11 N3 O
• a: 7.4292 ± 0.0001 Å
• b: 15.4949 ± 0.0001 Å
• c: 13.3545 ± 0.0001 Å
• α: 90°
• β: 101.315 ± 0.001°
• γ: 90°
• Cell volume: 1507.42 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0342
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No