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Information card for entry 1507881
Preview
Coordinates | 1507881.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 N O2 S |
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Calculated formula | C19 H19 N O2 S |
SMILES | N1(C[C@H]2[C@H](c3ccccc3)[C@H]2C=C1)S(=O)(=O)c1ccc(cc1)C.N1(C[C@@H]2[C@@H](c3ccccc3)[C@@H]2C=C1)S(=O)(=O)c1ccc(cc1)C |
Title of publication | Manganese porphyrin catalyzed cycloisomerization of enynes. |
Authors of publication | Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 12 |
Pages of publication | 3008 - 3011 |
a | 9.7449 ± 0.0019 Å |
b | 19.726 ± 0.004 Å |
c | 8.7201 ± 0.0017 Å |
α | 90° |
β | 95.121 ± 0.003° |
γ | 90° |
Cell volume | 1669.6 ± 0.6 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1411 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/1507881.html
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