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Information card for entry 4517523
Preview
Coordinates | 4517523.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H40 Cl F3 N2 O5 P Rh S |
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Calculated formula | C35 H40 Cl F3 N2 O5 P Rh S |
Title of publication | Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions |
Authors of publication | Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 4491 - 4496 |
a | 10.9434 ± 0.0006 Å |
b | 10.9434 ± 0.0006 Å |
c | 60.442 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7238.4 ± 0.7 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 9 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0264 |
Residual factor for significantly intense reflections | 0.0256 |
Weighted residual factors for significantly intense reflections | 0.0683 |
Weighted residual factors for all reflections included in the refinement | 0.0692 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
257048 (current) | 2020-10-04 | cif/ Updating files of 4517522, 4517523 Original log message: Adding full bibliography for 4517522--4517523.cif. |
4517523.cif |
249789 | 2020-03-28 | cif/ Adding structures of 4517523 via cif-deposit CGI script. |
4517523.cif |
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Users of the data should acknowledge the original authors of the
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