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Information card for entry 7230942
Preview
Coordinates | 7230942.cif |
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Original paper (by DOI) | HTML |
Chemical name | (3S,10aS)-1-((4-bromophenyl)sulfonyl)-7-methyl-3,4-diphenyl-9-tosyl-3,9,10,10a-tetrahydropyrrolo[2,3-b]carbazol-2(1H)-one |
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Formula | C42 H36 Br Cl2 N2 O5.5 S2 |
Calculated formula | C40 H31 Br N2 O5 S2 |
Title of publication | Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles |
Authors of publication | Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu |
Journal of publication | Green Chemistry |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 14 |
Pages of publication | 3271 |
a | 10.1352 ± 0.0005 Å |
b | 13.2429 ± 0.0007 Å |
c | 16.5954 ± 0.0008 Å |
α | 110.962 ± 0.005° |
β | 96.295 ± 0.004° |
γ | 91.276 ± 0.004° |
Cell volume | 2062.93 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2899 |
Residual factor for significantly intense reflections | 0.1978 |
Weighted residual factors for significantly intense reflections | 0.4901 |
Weighted residual factors for all reflections included in the refinement | 0.5161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.981 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7230942.html
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