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Information card for entry 4036297
Preview
Coordinates | 4036297.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H19 Br N2 O2 S |
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Calculated formula | C15 H19 Br N2 O2 S |
SMILES | Brc1ccc2S(=O)(=O)N3C4(CN(c2c1)CC3)CCCCC4 |
Title of publication | Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams. |
Authors of publication | Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 20 |
Pages of publication | 9926 - 9941 |
a | 10.0722 ± 0.0015 Å |
b | 11.2137 ± 0.0016 Å |
c | 13.464 ± 0.002 Å |
α | 90° |
β | 101.46 ± 0.002° |
γ | 90° |
Cell volume | 1490.4 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0279 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4036297.html
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