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Information card for entry 4514407
Preview
Coordinates | 4514407.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H36 Cr N O5 P |
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Calculated formula | C37 H36 Cr N O5 P |
Title of publication | Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines |
Authors of publication | Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 6 |
Pages of publication | 5268 |
a | 7.15 ± 0.0003 Å |
b | 19.5691 ± 0.0007 Å |
c | 24.0399 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3363.6 ± 0.2 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0689 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for significantly intense reflections | 0.1589 |
Weighted residual factors for all reflections included in the refinement | 0.169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
223175 (current) | 2019-11-04 | cif/ Updating files of 4514406, 4514407, 4514408 Original log message: Adding full bibliography for 4514406--4514408.cif. |
4514407.cif |
215058 | 2019-05-13 | cif/ Adding structures of 4514407 via cif-deposit CGI script. |
4514407.cif |
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