Crystallography Open Database

Information card for entry 1506863

Preview

Coordinates	1506863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Br2 O4
Calculated formula	C20 H16 Br2 O4
SMILES	[CH](C(=O)OCc1ccc(cc1)Br)[C@H](C(=O)OCc1ccc(cc1)Br)/C=C/[C@H](C(=O)OCc1ccc(cc1)Br)[C@H](C(=O)OCc1ccc(cc1)Br)/C=C/[C@H](C(=O)OCc1ccc(cc1)Br)[CH]C(=O)OCc1ccc(cc1)Br
Title of publication	Two-Step and Reversible Phase Transitions of Organic Polymer Crystals Produced by Topochemical Polymerization
Authors of publication	Matsumoto, Akikazu; Nakazawa, Hideyuki
Journal of publication	Macromolecules
Year of publication	2004
Journal volume	37
Journal issue	23
Pages of publication	8538
a	5.811 ± 0.002 Å
b	4.857 ± 0.001 Å
c	32.313 ± 0.009 Å
α	90°
β	90.49 ± 0.02°
γ	90°
Cell volume	912 ± 0.4 Å³
Cell temperature	203.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506863.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506863.cif
51501	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506863 via cif-deposit CGI script.	1506863.cif