Crystallography Open Database

Information card for entry 4103793

Preview

Coordinates	4103793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29.5 Br0.5 O4
Calculated formula	C23 H29.5 Br0.5 O4
Title of publication	Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols
Authors of publication	Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	954 - 962
a	7.2994 ± 0.0018 Å
b	12.819 ± 0.003 Å
c	13.121 ± 0.003 Å
α	77.774 ± 0.015°
β	89.559 ± 0.016°
γ	77.542 ± 0.018°
Cell volume	1170.7 ± 0.5 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 1 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1784
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103793.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103793.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103793.cif
28268	2011-10-24	../uploads/cif-deposit/cod/cif Adding structures of 4103793 via cif-deposit CGI script.	4103793.cif