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Information card for entry 4122645
Preview
Coordinates | 4122645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H21 N O2 S |
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Calculated formula | C14 H21 N O2 S |
SMILES | c12c(C[C@@H](C)O[S@@]2(=NC(C)(C)C)=O)cc(cc1)C.c12c(C[C@H](C)O[S@]2(=NC(C)(C)C)=O)cc(cc1)C |
Title of publication | Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis. |
Authors of publication | Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 39 |
Pages of publication | 13534 - 13537 |
a | 17.888 ± 0.003 Å |
b | 9.4477 ± 0.0014 Å |
c | 18.022 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3045.7 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0491 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1119 |
Weighted residual factors for all reflections included in the refinement | 0.1205 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
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/4122645.html
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