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Information card for entry 7130464
Preview
Coordinates | 7130464.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Compound 3da |
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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 | 10.5422 ± 0.0001 Å |
b | 12.8934 ± 0.0001 Å |
c | 30.3311 ± 0.0004 Å |
α | 90° |
β | 95.105 ± 0.001° |
γ | 90° |
Cell volume | 4106.4 ± 0.07 Å3 |
Cell temperature | 302.48 ± 0.1 K |
Ambient diffraction temperature | 302.48 ± 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 | 0.0577 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1294 |
Weighted residual factors for all reflections included in the refinement | 0.1365 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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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