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Information card for entry 2010385
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Coordinates | 2010385.cif |
---|---|
Original IUCr paper | HTML |
Formula | C23 H23 N O3 |
---|---|
Calculated formula | C23 H23 N O3 |
SMILES | O1[C@@]2(N(C[C@@H]3[C@H]4CC[C@@H]([C@H]13)C4)C(=O)c1c(O2)cccc1)c1ccc(cc1)C.O1[C@]2(N(C[C@H]3[C@@H]4CC[C@H]([C@@H]13)C4)C(=O)c1c(O2)cccc1)c1ccc(cc1)C |
Title of publication | 5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one |
Authors of publication | Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 1 |
Pages of publication | 131 - 134 |
a | 9.15 ± 0.004 Å |
b | 17.465 ± 0.006 Å |
c | 12.098 ± 0.005 Å |
α | 89.99 ± 0.02° |
β | 106.89 ± 0.02° |
γ | 89.99 ± 0.02° |
Cell volume | 1849.9 ± 1.3 Å3 |
Cell temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.058 |
Goodness-of-fit parameter for significantly intense reflections | 0.87 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2010385.html
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Users of the data should acknowledge the original authors of the
structural data.