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Information card for entry 7242873
Preview
Coordinates | 7242873.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H37 N4 O2 S |
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Calculated formula | C31 H37 N4 O2 S |
Title of publication | Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives |
Authors of publication | Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul |
Journal of publication | RSC Medicinal Chemistry |
Year of publication | 2021 |
a | 10.221 ± 0.005 Å |
b | 13.97 ± 0.009 Å |
c | 21.807 ± 0.013 Å |
α | 79.88 ± 0.02° |
β | 76.458 ± 0.013° |
γ | 68.561 ± 0.013° |
Cell volume | 2804 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.5005 |
Residual factor for significantly intense reflections | 0.1731 |
Weighted residual factors for significantly intense reflections | 0.3161 |
Weighted residual factors for all reflections included in the refinement | 0.4787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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265327 (current) | 2021-05-19 | cif/ Adding structures of 7242872, 7242873 via cif-deposit CGI script. |
7242873.cif |
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Users of the data should acknowledge the original authors of the
structural data.