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Information card for entry 4131217
Preview
Coordinates | 4131217.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C85.24 H72.7 Cl4.76 Ir N2 O6.74 P2 |
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Calculated formula | C85.235 H72.705 Cl4.765 Ir N2 O6.745 P2 |
Title of publication | Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution. |
Authors of publication | Rössler, Simon L; Krautwald, Simon; Carreira, Erick M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 10 |
Pages of publication | 3603 - 3606 |
a | 15.8812 ± 0.0008 Å |
b | 19.5634 ± 0.001 Å |
c | 22.8793 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7108.4 ± 0.6 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 7 |
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 | 0.0292 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0589 |
Weighted residual factors for all reflections included in the refinement | 0.0596 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4131217.html
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