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Information card for entry 4077952
Preview
Coordinates | 4077952.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H43 I N O4 P Pd |
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Calculated formula | C40 H43 I N O4 P Pd |
SMILES | [Pd]1(c2ccc3ccccc3c2[C@@H](C)[N]1(C)C)(I)[P](c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)C(C(=O)OCC)C(=O)OCC |
Title of publication | Chiral Phosphapalladacycles as Efficient Catalysts for the Asymmetric Hydrophosphination of Substituted Methylidenemalonate Esters: Direct Access to Functionalized Tertiary Chiral Phosphines |
Authors of publication | Xu, Chang; Jun Hao Kennard, Gan; Hennersdorf, Felix; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3022 |
a | 9.6549 ± 0.0007 Å |
b | 13.804 ± 0.001 Å |
c | 28.1935 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3757.5 ± 0.5 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 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 | 0.1074 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4077952.html
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