Crystallography Open Database

Information card for entry 2101713

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Coordinates	2101713.cif
Original IUCr paper	HTML

Structure parameters

Formula	C16 H15 Cl3 N2 O5 S
Calculated formula	C16 H15 Cl3 N2 O5 S
SMILES	O=C(NC(=O)c1sc(c(n1)C(=O)OCC(Cl)(Cl)Cl)C)Cc1ccccc1.O
Title of publication	The perils of <i>Cc</i> revisited
Authors of publication	Marsh, R. E.
Journal of publication	Acta Crystallographica Section B
Year of publication	1997
Journal volume	53
Journal issue	2
Pages of publication	317 - 322
a	10.632 Å
b	73.538 Å
c	10.097 Å
α	90°
β	90°
γ	90°
Cell volume	7894.4 Å³
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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