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Information card for entry 2221958
Preview
Coordinates | 2221958.cif |
---|---|
Structure factors | 2221958.hkl |
Original IUCr paper | HTML |
Chemical name | 2,10-Dihydroxy-13-methyl-13-azatetracyclo[9.3.1.0^2,10^.0^3,8^]pentadeca- 3(8),4,6-triene-9,15-dione |
---|---|
Formula | C15 H15 N O4 |
Calculated formula | C15 H15 N O4 |
SMILES | O=C1[C@@]2(O)[C@@](O)(c3c1cccc3)[C@H]1CN(C[C@@H]2C1=O)C.O=C1[C@]2(O)[C@](O)(c3c1cccc3)[C@@H]1CN(C[C@H]2C1=O)C |
Title of publication | 2,10-Dihydroxy-13-methyl-13-azatetracyclo[9.3.1.0^2,10^.0^3,8^]pentadeca-3(8),4,6-triene-9,15-dione |
Authors of publication | Suresh, J.; Nithya, U. C.; Kumar, R. Suresh; Perumal, S.; Lakshman, P. L. Nilantha |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 6 |
Pages of publication | o1216 |
a | 7.5616 ± 0.0007 Å |
b | 8.9033 ± 0.0008 Å |
c | 10.8091 ± 0.0011 Å |
α | 72.764 ± 0.011° |
β | 80.486 ± 0.012° |
γ | 72.369 ± 0.011° |
Cell volume | 660.09 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.0969 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2221958.html
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Users of the data should acknowledge the original authors of the
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