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Information card for entry 4037315
Preview
Coordinates | 4037315.cif |
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Original paper (by DOI) | HTML |
Chemical name | diethyl (4-chloro-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phosphonate |
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Formula | C10 H13 Cl N3 O3 P |
Calculated formula | C10 H13 Cl N3 O3 P |
Title of publication | C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives. |
Authors of publication | Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 19 |
Pages of publication | 9507 - 9514 |
a | 8.5724 ± 0.0016 Å |
b | 9.5217 ± 0.0011 Å |
c | 10.0248 ± 0.0018 Å |
α | 64.703 ± 0.014° |
β | 65.55 ± 0.017° |
γ | 85.194 ± 0.012° |
Cell volume | 669.1 ± 0.2 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0998 |
Residual factor for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections | 0.0944 |
Weighted residual factors for significantly intense reflections | 0.0647 |
Weighted residual factors for all reflections included in the refinement | 0.0647 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.3193 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/4037315.html
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