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Information card for entry 1568319
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Coordinates | 1568319.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H54 Cl N3 O3 |
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Calculated formula | C32 H54 Cl N3 O3 |
Title of publication | Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes. |
Authors of publication | Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 12 |
Pages of publication | 3132 - 3139 |
a | 16.684 ± 0.0005 Å |
b | 19.1264 ± 0.0005 Å |
c | 10.702 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3415.06 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1003 |
Residual factor for significantly intense reflections | 0.08 |
Weighted residual factors for significantly intense reflections | 0.1887 |
Weighted residual factors for all reflections included in the refinement | 0.2029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
282304 (current) | 2023-04-04 | cif/ Updating files of 1568319, 1568320, 1568321, 1568322, 1568323 Original log message: Adding full bibliography for 1568319--1568323.cif. |
1568319.cif |
280508 | 2023-01-22 | cif/ Adding structures of 1568319, 1568320, 1568321, 1568322, 1568323 via cif-deposit CGI script. |
1568319.cif |
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Users of the data should acknowledge the original authors of the
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