Crystallography Open Database

Information card for entry 7206294

7206293 << 7206294 >> 7206295

Preview

Coordinates	7206294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H4 O2
Calculated formula	C3 H4 O2
SMILES	C(=O)(C=C)O
Title of publication	Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure
Authors of publication	Oswald, Iain D. H.; Urquhart, Andrew J.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	14
Pages of publication	4503
a	9.959 ± 0.003 Å
b	11.667 ± 0.003 Å
c	6.3044 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	732.5 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Ambient diffracton pressure	400000 kPa
Number of distinct elements	3
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for all reflections	0.1187
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.0324
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180393 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/62.	7206294.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206294.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206294.cif
23592	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206294, 7206295, 7206296, 7206297, 7206298 via cif-deposit CGI script.	7206294.cif