Crystallography Open Database

Information card for entry 4113663

Preview

Coordinates	4113663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H62 Cl4 N14 P6
Calculated formula	C26 H62 Cl4 N14 P6
Title of publication	Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent
Authors of publication	Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	4943 - 4950
a	9.7031 ± 0.0019 Å
b	12.361 ± 0.003 Å
c	18.828 ± 0.004 Å
α	95.15 ± 0.03°
β	98.9 ± 0.03°
γ	96.32 ± 0.03°
Cell volume	2204.3 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.2134
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
178907 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/36.	4113663.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113663.cif
66929	2012-09-17	cif/ Adding structures of 4113663 via cif-deposit CGI script.	4113663.cif