Crystallography Open Database

Information card for entry 2100024

Preview

Coordinates	2100024.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22.5 H28 N5 O1.5 S3
Calculated formula	C21 H22 N5 O S3
SMILES	C1CCCNC1.Cc1ccc(cc1)OC(=S)Nc1ssc(n1)=NNc1ccccc1
Title of publication	Space group <i>P</i>1: an update
Authors of publication	Richard E. Marsh
Journal of publication	Acta Crystallographica Section B
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	359 - 359
a	10.1701 Å
b	12.2024 Å
c	12.395 Å
α	75.76°
β	69.47°
γ	73.75°
Cell volume	1364.14 Å³
Number of distinct elements	5
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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