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Information card for entry 7215812
Preview
Coordinates | 7215812.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H10 Br N O3 |
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Calculated formula | C11 H10 Br N O3 |
SMILES | Brc1cc2c(cc1)N(C(=O)C2(C)OC=O)C |
Title of publication | Visible-light-induced photocatalytic formyloxylation reactions of 3-bromooxindoles with water and DMF: the scope and mechanism |
Authors of publication | Zou, You-Quan; Guo, Wei; Liu, Feng-Lei; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing |
Journal of publication | Green Chemistry |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 8 |
Pages of publication | 3787 |
a | 12.936 ± 0.003 Å |
b | 12.022 ± 0.002 Å |
c | 14.578 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2267.1 ± 0.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0491 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.1023 |
Weighted residual factors for all reflections included in the refinement | 0.1224 |
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/7215812.html
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