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Information card for entry 7130462
Preview
Coordinates | 7130462.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Compound 3ac |
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Formula | C40 H44 N2 O3 S |
Calculated formula | C40 H44 N2 O3 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 | 15.3974 ± 0.0008 Å |
b | 11.039 ± 0.0005 Å |
c | 21.288 ± 0.0011 Å |
α | 90° |
β | 99.266 ± 0.006° |
γ | 90° |
Cell volume | 3571.1 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1502 |
Residual factor for significantly intense reflections | 0.0684 |
Weighted residual factors for significantly intense reflections | 0.1322 |
Weighted residual factors for all reflections included in the refinement | 0.1779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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