Information card for entry 8101107
Formula |
C27 H36 N2 O7 S |
Calculated formula |
C27 H36 N2 O7 S |
SMILES |
S(=O)(=O)(N(C)[C@H]1C[C@@]23N(C1=O)[C@H]([C@@H](O)[C@@H](C2)[C@H](O)CC3)Cc1ccc(OC)cc1)c1ccc(cc1)C.O |
Title of publication |
Crystal structure of (1S,3S,6S,7S,8S,9R)-7,9-dihydroxy-6-(4-methoxybenzyl)- 3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo[6.3.1.0 ^1.5^]dodecan-4-one—water (1/1), C~27~H~34~N~2~O~6~S · H~2~O |
Authors of publication |
Ousmer, Malika; Braun, Norbert A.; Ciufolini, Marco A.; Perrin, Monique |
Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication |
2001 |
Journal volume |
216 |
Journal issue |
4 |
Pages of publication |
621 - 622 |
a |
6.3113 ± 0.0013 Å |
b |
24.063 ± 0.005 Å |
c |
8.7559 ± 0.0018 Å |
α |
90° |
β |
99.28 ± 0.03° |
γ |
90° |
Cell volume |
1312.3 ± 0.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/8101107.html