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Information card for entry 7157785
Preview
Coordinates | 7157785.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H12 Br N O4 |
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Calculated formula | C19 H12 Br N O4 |
Title of publication | Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones |
Authors of publication | He, Xue-Wen; Zhou, Wei; Zhang, Min; Tian, Min-Yi; Wang, Hui-Juan; Tian, You-Ping; Liu, Xiong-Li |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 44 |
Pages of publication | 9039 - 9043 |
a | 12.5309 ± 0.0007 Å |
b | 7.1686 ± 0.0004 Å |
c | 17.8685 ± 0.001 Å |
α | 90° |
β | 94.845 ± 0.005° |
γ | 90° |
Cell volume | 1599.37 ± 0.16 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0439 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0683 |
Weighted residual factors for all reflections included in the refinement | 0.0725 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7157785.html
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structural data.