Information card for entry 2009885
Formula |
C28 H28 N2 O5 |
Calculated formula |
C28 H28 N2 O5 |
SMILES |
COC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)Cc1ccccc1 |
Title of publication |
<i>N</i>-(<i>N</i>-Benzyloxycarbonyl-<small>L</small>-1,2,3,4-tetrahydroisoquinol-3-ylcarbonyl)-<small>L</small>-phenylalanine methyl ester, <i>Z</i>-<small>L</small>-Tic-<small>L</small>-Phe-OMe |
Authors of publication |
Vitagliano, L.; Zagart, A.; Capasso, S.; Salvadori, S.; Baldoni, G. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1994 |
Journal volume |
50 |
Journal issue |
7 |
Pages of publication |
1135 - 1138 |
a |
6.866 ± 0.001 Å |
b |
13.492 ± 0.001 Å |
c |
26.334 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2439.5 ± 0.4 Å3 |
Cell temperature |
293 K |
Number of distinct elements |
4 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for significantly intense reflections |
0.053 |
Weighted residual factors for significantly intense reflections |
0.061 |
Goodness-of-fit parameter for significantly intense reflections |
0.91 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2009885.html