Crystallography Open Database

Information card for entry 5000149

Preview

Coordinates	5000149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H3 N3 O6
Calculated formula	C6 N3 O6
Title of publication	Substituent crowding in nitrobenzenes
Authors of publication	Laerdahl, Jon K.; Fægri, Knut; Rømming, Christian; Swang, Ole; Midtgård, Tonje; Schöffel, Klaus
Journal of publication	Journal of Molecular Structure
Year of publication	1998
Journal volume	445
Journal issue	1-3
Pages of publication	89 - 98
a	14.065 ± 0.001 Å
b	5.67 ± 0.001 Å
c	9.896 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	789.19 Å³
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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