Crystallography Open Database

Information card for entry 7050866

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Coordinates	7050866.cif

Structure parameters

Formula	C26 H15 N3 S
Calculated formula	C26 H15 N3 S
SMILES	c12c(cc3ccccc3n1)Sc1c(C2(C#N)c2ccccc2)nc2c(c1)cccc2
Journal of publication	New Journal of Chemistry
Year of publication	2002
a	9.844 ± 0.0003 Å
b	15.525 ± 0.0003 Å
c	13.251 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2025.1 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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