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Information card for entry 7130463
Preview
Coordinates | 7130463.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Compound 3fa |
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Formula | C46 H47 F N2 O4 S |
Calculated formula | C46 H47 F 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 | 12.2295 ± 0.001 Å |
b | 12.9142 ± 0.001 Å |
c | 14.2096 ± 0.0012 Å |
α | 95.174 ± 0.007° |
β | 99.059 ± 0.007° |
γ | 113.378 ± 0.008° |
Cell volume | 2005.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1251 |
Weighted residual factors for all reflections included in the refinement | 0.1348 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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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