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Information card for entry 1503643
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1503643.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H28.42 Br2 N5 O4.71 |
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Calculated formula | C24 H28.4133 Br2 N5 O4.70833 |
SMILES | Brc1ccc(C2C3=C(Nc4nc([nH]c(=O)c24)N)/C(=C/c2ccc(Br)cc2)CN(C3)C)cc1.O.O.O.O.O |
Title of publication | Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation |
Authors of publication | Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang |
Journal of publication | Journal of Combinatorial Chemistry |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 5 |
Pages of publication | 809 |
a | 25.657 ± 0.002 Å |
b | 25.657 ± 0.002 Å |
c | 25.657 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 16890 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 201 |
Hermann-Mauguin space group symbol | P n -3 :2 |
Hall space group symbol | -P 2ab 2bc 3 |
Residual factor for all reflections | 0.2899 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.1255 |
Weighted residual factors for all reflections included in the refinement | 0.1538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503643.html
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