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Information card for entry 4028876
Preview
Coordinates | 4028876.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H18 N2 O |
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Calculated formula | C21 H18 N2 O |
SMILES | c1(ccccc1)CN1C(=O)N(Cc2ccccc2)c2c1cccc2 |
Title of publication | One-Pot Synthesis of 7,9-Dialkylpurin-8-one Analogues: Broad Substrate Scope |
Authors of publication | Jian-Ping Li; Yu Huang; Ming-Sheng Xie; Gui-Rong Qu; Hong-Ying Niu; Hai-Xia Wang; Bo-Wen Qin; Hai-Ming Guo |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 12629 - 12636 |
a | 19.732 ± 0.003 Å |
b | 9.1276 ± 0.0014 Å |
c | 10.1906 ± 0.0016 Å |
α | 90° |
β | 116.057 ± 0.002° |
γ | 90° |
Cell volume | 1648.8 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0483 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0873 |
Weighted residual factors for all reflections included in the refinement | 0.0962 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4028876.html
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