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Information card for entry 4024215
Preview
Coordinates | 4024215.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H42 B N7 P Rh |
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Calculated formula | C40 H42 B N7 P Rh |
SMILES | Cc1cc(C)n2[n]1[RhH]1(C#Cc3ccccn3)([n]3c(C)cc(C)n3[BH]2n2c(cc(C)[n]12)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis of 1,1-Disubstituted Alkyl Vinyl Sulfides via Rhodium-Catalyzed Alkyne Hydrothiolation: Scope and Limitations |
Authors of publication | Jun Yang; Anthony Sabarre; Lauren R. Fraser; Brian O. Patrick; Jennifer A. Love |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 182 - 187 |
a | 15.851 ± 0.002 Å |
b | 19.184 ± 0.003 Å |
c | 23.951 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7282.8 ± 1.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0336 |
Residual factor for significantly intense reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.0581 |
Weighted residual factors for all reflections included in the refinement | 0.0657 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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