Crystallography Open Database

Information card for entry 1504942

Preview

Coordinates	1504942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.8 H20 Cl N2.35 Na O7
Calculated formula	C18.8 H20 Cl N2.35 Na O7
Title of publication	Controlling and measuring the equilibration of dynamic combinatorial libraries of imines.
Authors of publication	Ziach, Krzysztof; Jurczak, Janusz
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	22
Pages of publication	5159 - 5162
a	7.9569 ± 0.0003 Å
b	17.6067 ± 0.0006 Å
c	15.1481 ± 0.0005 Å
α	90°
β	99.863 ± 0.003°
γ	90°
Cell volume	2090.8 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0526
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
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.	1504942.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504942.cif
42484	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504942 via cif-deposit CGI script.	1504942.cif