Information card for entry 2232376
Chemical name |
<i>rac</i>-Dimethyl 2-(<i>tert</i>-butylamino)-5-oxo-4,5- dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate |
Formula |
C20 H21 N O7 |
Calculated formula |
C20 H21 N O7 |
SMILES |
c12ccccc1c1c(c(=O)o2)C(C(=C(O1)NC(C)(C)C)C(=O)OC)C(=O)OC |
Title of publication |
<i>rac</i>-Dimethyl 2-(<i>tert</i>-butylamino)-5-oxo-4,5-dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate |
Authors of publication |
Inglebert, S. Antony; Sethusankar, K.; Arun, Yuvaraj; Perumal, Paramasivam T. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
11 |
Pages of publication |
o2955 |
a |
10.0907 ± 0.0002 Å |
b |
16.3943 ± 0.0004 Å |
c |
11.8266 ± 0.0002 Å |
α |
90° |
β |
107.941 ± 0.001° |
γ |
90° |
Cell volume |
1861.34 ± 0.07 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0894 |
Residual factor for significantly intense reflections |
0.0497 |
Weighted residual factors for significantly intense reflections |
0.1304 |
Weighted residual factors for all reflections included in the refinement |
0.1581 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.999 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2232376.html