Crystallography Open Database

Information card for entry 7051426

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Coordinates	7051426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H91 N6 O12 P S
Calculated formula	C77 H94 N6 O12 P S
SMILES	S=P12N(N=Cc3cc(OC)c(OCCCCOc4cc5c(Cc6c(Cc7c(cc(OC)c(OCCCCOc8ccc(cc8OC)C=NN2C)c7)C5)cc(OC)c(OCCCCOc2c(OC)cc(C=NN1C)cc2)c6)cc4OC)cc3)C.c1c(cccc1)C.c1ccc(C)cc1
Journal of publication	New Journal of Chemistry
Year of publication	1999
a	14.273 ± 0.001 Å
b	15.693 ± 0.001 Å
c	16.714 ± 0.001 Å
α	82.139 ± 0.001°
β	81.123 ± 0.001°
γ	73.674 ± 0.001°
Cell volume	3532.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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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