Information card for entry 7234999

Structure parameters

• Chemical name: 5I
• Formula: C24 H16 N4 O
• Calculated formula: C24 H16 N4 O
• Title of publication: Impact of an aryl bulky group on a one-pot reaction of aldehyde with malononitrile and N-substituted 2-cyanoacetamide
• Authors of publication: Vala, Ruturajsinh M.; Patel, Divyang M.; Sharma, Mayank G.; Patel, Hitendra M.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 49
• Pages of publication: 28886
• a: 14.5818 ± 0.0013 Å
• b: 28.597 ± 0.002 Å
• c: 9.1804 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3828.2 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.3099
• Weighted residual factors for all reflections included in the refinement: 0.3136
• Goodness-of-fit parameter for all reflections included in the refinement: 2.7026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No