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Information card for entry 7156640
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Coordinates | 7156640.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H14 Br N O6 |
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Calculated formula | C14 H14 Br N O6 |
Title of publication | Diastereoselective synthesis of 3,3-disubstituted 3-nitro-4-chromanone derivatives as potential antitumor agents. |
Authors of publication | Chen, Huiqing; Xie, Jia; Xing, Dong; Wang, Jinping; Tang, Jie; Yi, Zhengfang; Xia, Fei; Qiu, Wen-Wei; Yang, Fan |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 5 |
Pages of publication | 1062 - 1066 |
a | 10.1785 ± 0.0003 Å |
b | 11.8901 ± 0.0004 Å |
c | 25.9949 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3145.99 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0636 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1251 |
Weighted residual factors for all reflections included in the refinement | 0.1371 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/7156640.html
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structural data.