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Information card for entry 7230944
Preview
Coordinates | 7230944.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (3R,9aS)-3,4-diphenyl-1-tosyl-9,9a-dihydro-1H-benzo[f]indol-2(3H)-one |
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Formula | C31 H25 N O3 S |
Calculated formula | C31 H25 N O3 S |
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 | 11.7246 ± 0.0004 Å |
b | 12.2563 ± 0.0006 Å |
c | 16.5665 ± 0.0007 Å |
α | 90° |
β | 98.55 ± 0.004° |
γ | 90° |
Cell volume | 2354.15 ± 0.17 Å3 |
Cell temperature | 99.97 ± 0.1 K |
Ambient diffraction temperature | 99.97 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0498 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1092 |
Weighted residual factors for all reflections included in the refinement | 0.1149 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7230944.html
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