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Information card for entry 7159976
Preview
Coordinates | 7159976.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H63 Cl N4 O5 Si3 |
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Calculated formula | C42 H63 Cl N4 O5 Si3 |
Title of publication | Purinyl <i>N</i>-directed aroylation of 6-arylpurine ribo- and 2'-deoxyribonucleosides, and mechanistic insights. |
Authors of publication | Lakshman, Mahesh K.; Malinchak, Casina T.; Shank, Nathaniel; Neary, Michelle C.; Stahl, Lothar |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2024 |
Journal volume | 22 |
Journal issue | 33 |
Pages of publication | 6718 - 6726 |
a | 13.9738 ± 0.0007 Å |
b | 7.6693 ± 0.0004 Å |
c | 22.8201 ± 0.0014 Å |
α | 90° |
β | 106.684 ± 0.004° |
γ | 90° |
Cell volume | 2342.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1502 |
Residual factor for significantly intense reflections | 0.129 |
Weighted residual factors for significantly intense reflections | 0.3283 |
Weighted residual factors for all reflections included in the refinement | 0.3493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7159976.html
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Users of the data should acknowledge the original authors of the
structural data.