Information card for entry 8101591
Common name |
(S)-3,6,8-trimethylcaffolide |
Formula |
C8 H9 N3 O5 |
Calculated formula |
C8 H9 N3 O5 |
SMILES |
O1C(=O)N(C)C(=O)[C@]21N(C)C(=O)N(C)C2=O |
Title of publication |
Crystal structure of (S)-1-oxa-3,6,8-triaza-3,6,8-trimethylspiro- [4.4]nonane-2,4,7,9-tetraone, C~8~H~9~N~3~O~5~ |
Authors of publication |
Poje, Nevenka; Poje, Mirko; Vicković, Ivan |
Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication |
1999 |
Journal volume |
214 |
Journal issue |
4 |
Pages of publication |
533 - 534 |
a |
9.429 ± 0.002 Å |
b |
9.429 ± 0.002 Å |
c |
19.234 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
120° |
Cell volume |
1480.9 ± 0.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
170 |
Hermann-Mauguin space group symbol |
P 65 |
Hall space group symbol |
P 65 |
Residual factor for significantly intense reflections |
0.0356 |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/8101591.html