Crystallography Open Database

Information card for entry 4101164

Preview

Coordinates	4101164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H70 F6 N O4 P
Calculated formula	C64 H70 F6 N O4 P
SMILES	[P](F)(F)(F)(F)(F)[F-].O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.[N+]1(C)(C)Cc2c(c3c(c4ccccc4)cccc3)cc3ccccc3c2c2c3ccccc3cc(c2C1)c1c(c2ccccc2)cccc1
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	12.797 ± 0.003 Å
b	21.064 ± 0.004 Å
c	20.183 ± 0.005 Å
α	90°
β	91.6 ± 0.01°
γ	90°
Cell volume	5439 ± 2 Å³
Cell temperature	123.1 K
Number of distinct elements	6
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 F_obs	No

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