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Information card for entry 4517529
Preview
Coordinates | 4517529.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H64 Ni P2 S |
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Calculated formula | C40 H64 Ni P2 S |
Title of publication | Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study |
Authors of publication | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 4630 - 4639 |
a | 11.7655 ± 0.0001 Å |
b | 14.098 ± 0.0001 Å |
c | 22.4255 ± 0.0001 Å |
α | 90° |
β | 93.047 ± 0.001° |
γ | 90° |
Cell volume | 3714.46 ± 0.04 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0311 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.0811 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
257050 (current) | 2020-10-04 | cif/ Updating files of 4517528, 4517529, 4517530, 4517531, 4517532, 4517533, 4517534 Original log message: Adding full bibliography for 4517528--4517534.cif. |
4517529.cif |
249864 | 2020-04-01 | cif/ Adding structures of 4517529 via cif-deposit CGI script. |
4517529.cif |
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Users of the data should acknowledge the original authors of the
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