Information card for entry 2000168
Formula |
C16 H17.76 N O5.38 |
Calculated formula |
C16 H17.76 N O5.38 |
SMILES |
COC(=O)N1Cc2cc3OCOc3cc2[C@H]2[C@H]1CCC(=O)C2.O.COC(=O)N1Cc2cc3OCOc3cc2[C@@H]2[C@@H]1CCC(=O)C2.O |
Title of publication |
Structure of methyl-8,9-methylenedioxy-2-oxo-1,2,3,4,4aα,5,6,10bβ-octahydrophenanthridine-5-carboxylate |
Authors of publication |
Hua, D. H.; Saha, S.; Robinson, P. D. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1991 |
Journal volume |
47 |
Journal issue |
12 |
Pages of publication |
2737 - 2739 |
a |
16.23 ± 0.01 Å |
b |
5.88 ± 0.01 Å |
c |
29.88 ± 0.02 Å |
α |
90° |
β |
96.61 ± 0.07° |
γ |
90° |
Cell volume |
2833 ± 5 Å3 |
Number of distinct elements |
4 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
Mo |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/2000168.html