Crystallography Open Database

Information card for entry 4100462

Preview

Structure parameters

Formula	C50 H49 N5 O8
Calculated formula	C50 H49 N5 O8
SMILES	O(c1ccccc1)C(=O)c1ccc(N(C)C(=O)c2ccc(N(C)C(=O)c3ccc(N(C)C(=O)c4ccc(N(C)C(=O)c5ccc(NC)cc5)cc4)cc3)cc2)cc1.O=C(OCC)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	11.819 ± 0.002 Å
b	13.49 ± 0.002 Å
c	15.6589 ± 0.0009 Å
α	106.26 ± 0.01°
β	106.353 ± 0.01°
γ	100.402 ± 0.005°
Cell volume	2206.7 ± 0.5 Å³
Cell temperature	113.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4100462.html