Crystallography Open Database

Information card for entry 2100076

Preview

Coordinates	2100076.cif
Original IUCr paper	HTML

Structure parameters

Formula	C13 H14 N2 O5 S
Calculated formula	C13 H14 N2 O5 S
SMILES	S(=O)(=O)([O-])c1ccc(cc1)O.C[n+]1ccc(cc1)C(=O)N
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	8.016 Å
b	14.258 Å
c	12.6 Å
α	90°
β	104.35°
γ	90°
Cell volume	1395.15 Å³
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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