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Information card for entry 7235000
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Coordinates | 7235000.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5a |
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Formula | C20 H14 N4 O |
Calculated formula | C20 H14 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 | 9.5352 ± 0.0004 Å |
b | 16.8113 ± 0.0008 Å |
c | 11.9674 ± 0.0005 Å |
α | 90° |
β | 112.758 ± 0.0013° |
γ | 90° |
Cell volume | 1769.01 ± 0.14 Å3 |
Cell temperature | 273.15 K |
Ambient diffraction temperature | 273.15 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 | 0.0767 |
Residual factor for significantly intense reflections | 0.07 |
Weighted residual factors for significantly intense reflections | 0.2503 |
Weighted residual factors for all reflections included in the refinement | 0.2551 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.093 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7235000.html
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