Crystallography Open Database

Information card for entry 1503627

Preview

Coordinates	1503627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Br2 O4
Calculated formula	C16 H10 Br2 O4
Title of publication	Construction of Aromatic [5,5] Spiroketals via Hypoiodite-Catalyzed Etherification Combined in Relay Cascades.
Authors of publication	Wei, Wei; Wang, Yao; Yin, Jianpeng; Xue, Jijun; Li, Ying
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	4
Pages of publication	1158 - 1161
a	17.325 ± 0.01 Å
b	4.393 ± 0.003 Å
c	20.866 ± 0.012 Å
α	90°
β	92.132 ± 0.008°
γ	90°
Cell volume	1587 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1503627.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503627.cif
37978	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 1503627 via cif-deposit CGI script.	1503627.cif