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Information card for entry 7132210
Preview
Coordinates | 7132210.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H17 N5 O3 |
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Calculated formula | C16 H17 N5 O3 |
Title of publication | Selective modification of tryptophan in polypeptides <i>via</i> C-N coupling with azoles using <i>in situ</i>-generated iodine-based oxidants in aqueous media. |
Authors of publication | Watanabe, Shunsuke; Wada, Yuki; Kawano, Masaki; Higashibayashi, Shuhei; Sugai, Takeshi; Hanaya, Kengo |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
a | 8.78319 ± 0.00006 Å |
b | 10.61767 ± 0.00007 Å |
c | 9.51916 ± 0.00006 Å |
α | 90° |
β | 114.958 ± 0.0008° |
γ | 90° |
Cell volume | 804.83 ± 0.011 Å3 |
Cell temperature | 123.15 K |
Ambient diffraction temperature | 123.15 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0267 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0672 |
Weighted residual factors for all reflections included in the refinement | 0.0674 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7132210.html
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