Crystallography Open Database

Information card for entry 7153432

Preview

Coordinates	7153432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H5 N O2
Calculated formula	C7 H5 N O2
Title of publication	Pyrrolizine-1,3-dione.
Authors of publication	McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	19
Pages of publication	4383 - 4387
a	5.1445 ± 0.0009 Å
b	14.134 ± 0.002 Å
c	8.0639 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	586.35 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180320 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/34.	7153432.cif
93768	2014-01-13	cif/ Adding structures of 7153432, 7153433 via cif-deposit CGI script.	7153432.cif