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Information card for entry 2242925
Preview
Coordinates | 2242925.cif |
---|---|
Structure factors | 2242925.hkl |
Original IUCr paper | HTML |
Chemical name | 3-[(6-Chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol |
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Formula | C10 H13 Cl N4 O |
Calculated formula | C10 H13 Cl N4 O |
Title of publication | Crystal structures of the synthetic intermediate 3-[(6-chloro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9<i>H</i>-purin-9-yl)methyl]cyclobutan-1-ol |
Authors of publication | Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 6 |
Pages of publication | 732 - 737 |
a | 6.1101 ± 0.0004 Å |
b | 8.6075 ± 0.0005 Å |
c | 11.0083 ± 0.0007 Å |
α | 68.957 ± 0.006° |
β | 83.799 ± 0.005° |
γ | 87.189 ± 0.005° |
Cell volume | 537.15 ± 0.06 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0401 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0952 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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