Crystallography Open Database

Information card for entry 4100150

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Coordinates	4100150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H37 N3 Zn
Calculated formula	C29 H37 N3 Zn
SMILES	[Zn]12([N]3(C(=C(N1c1c(cccc1C)C)C)C=CC=C3C(=[N]2c1c(cccc1C)C)C)CC)CC
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	12.1589 ± 0.0009 Å
b	14.8318 ± 0.0009 Å
c	16.6799 ± 0.0013 Å
α	87.773 ± 0.007°
β	71.894 ± 0.006°
γ	67.208 ± 0.006°
Cell volume	2624.4 ± 0.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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

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