Information card for entry 8100179
Formula |
C18 H26 N2 O10 |
Calculated formula |
C18 H26 N2 O10 |
SMILES |
O=C1N(Cc2ccccc2)C(=O)[C@H]2CCC[NH2+][C@@H]12.[O-]C(=O)[C@H](O)[C@@H](O)C(=O)O.O.O |
Title of publication |
Crystal structure of (1S,6S)-8-benzyl-7,9-dioxo-8-aza-2-azoniabicyclo [4,3,0]-nonane (2S,3S)-(-)-hydrogen tartrate dihydrate, (C~4~H~5~N~2~O~10~) (C~14~H~17~O~2~) · 2H~2~O, a chiral inclusion |
Authors of publication |
Chen, Fan; Hu, Mao-Lin; Wang, Shun; Wu, Hua-Yue |
Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication |
2004 |
Journal volume |
219 |
Journal issue |
4 |
Pages of publication |
417 - 418 |
a |
7.0751 ± 0.0006 Å |
b |
11.3427 ± 0.0008 Å |
c |
26.268 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2108 ± 0.3 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/8100179.html