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Information card for entry 7130466
Preview
Coordinates | 7130466.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Compound 3ea |
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Formula | C47 H50 N2 O4 S |
Calculated formula | C47 H50 N2 O4 S |
Title of publication | Iron(III)-catalyzed tandem annulation of indolyl-substituted <i>p</i>-quinone methides with ynamides for the synthesis of cyclopenta[<i>b</i>]indoles. |
Authors of publication | Yu, Ke-Yin; Ge, Xiao-Min; Fan, Yi-Jun; Liu, Xiao-Tao; Yang, Xue; Yang, Yu-Han; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2022 |
Journal volume | 58 |
Journal issue | 62 |
Pages of publication | 8710 - 8713 |
a | 12.447 ± 0.0002 Å |
b | 13.1078 ± 0.0003 Å |
c | 15.0372 ± 0.0002 Å |
α | 105.888 ± 0.002° |
β | 96.944 ± 0.002° |
γ | 114.393 ± 0.002° |
Cell volume | 2070.93 ± 0.09 Å3 |
Cell temperature | 302.34 ± 0.1 K |
Ambient diffraction temperature | 302.34 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0611 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1247 |
Weighted residual factors for all reflections included in the refinement | 0.1344 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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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