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Information card for entry 7249484
Preview
Coordinates | 7249484.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6-(pyridin-4-ylmethyl)-5H-quinazolino[3,2-a]quinazoline-5,12(6H)-dione |
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Formula | C21 H14 N4 O2 |
Calculated formula | C21 H14 N4 O2 |
Title of publication | Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator |
Authors of publication | Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip |
Journal of publication | RSC Medicinal Chemistry |
Year of publication | 2024 |
a | 7.3072 ± 0.0003 Å |
b | 10.6416 ± 0.0004 Å |
c | 12.3542 ± 0.0004 Å |
α | 65.804 ± 0.001° |
β | 74.301 ± 0.002° |
γ | 72.465 ± 0.002° |
Cell volume | 823.52 ± 0.05 Å3 |
Cell temperature | 297 K |
Ambient diffraction temperature | 297 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.123 |
Residual factor for significantly intense reflections | 0.1107 |
Weighted residual factors for significantly intense reflections | 0.2912 |
Weighted residual factors for all reflections included in the refinement | 0.3116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.2779 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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