Crystallography Open Database

Information card for entry 1515925

Preview

Coordinates	1515925.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	08185b
Formula	C6 H7 Br O4
Calculated formula	C6 H7 Br O4
SMILES	Br[C@]1(OC(=O)[C@@H](OC1=O)C)C
Title of publication	High Tg aliphatic polyesters by the polymerization of spirolactide derivatives
Authors of publication	Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A.
Journal of publication	Polymer Chemistry
Year of publication	2010
Journal volume	1
Journal issue	6
Pages of publication	870
a	8.349 ± 0.003 Å
b	5.2884 ± 0.0017 Å
c	9.007 ± 0.003 Å
α	90°
β	101.9 ± 0.004°
γ	90°
Cell volume	389.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515925.cif
112455	2014-05-01	cif/ Adding structures of 1515925, 1515926 via cif-deposit CGI script.	1515925.cif