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Information card for entry 7128943
Preview
Coordinates | 7128943.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H24 N4 O2 |
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Calculated formula | C31 H24 N4 O2 |
Title of publication | Dinuclear zinc-catalyzed asymmetric Friedel-Crafts alkylation/cyclization of 3-aminophenols with α,α-dicyanoolefins. |
Authors of publication | Yan, Hang; Jia, Shi-Kun; Geng, Yu-Huan; Han, Jiao-Jiao; Hua, Yuan-Zhao; Wang, Min-Can |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2021 |
Journal volume | 57 |
Journal issue | 77 |
Pages of publication | 9854 - 9857 |
a | 9.4348 ± 0.0004 Å |
b | 10.8834 ± 0.0005 Å |
c | 24.5503 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2520.89 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0472 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269621 (current) | 2021-10-06 | cif/ Updating files of 7128943 Original log message: Adding full bibliography for 7128943.cif. |
7128943.cif |
269034 | 2021-09-08 | cif/ Adding structures of 7128943 via cif-deposit CGI script. |
7128943.cif |
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