Crystallography Open Database

Information card for entry 4103906

Preview

Coordinates	4103906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 Fe N
Calculated formula	C28 H21 Fe N
SMILES	[Fe]12345678([cH]9[cH]2[cH]1[cH]3[c]89c1ccc(n2c3c(c8c2cccc8)cccc3)cc1)[cH]1[cH]5[cH]4[cH]7[cH]61
Title of publication	Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers
Authors of publication	Ken Albrecht; Kimihisa Yamamoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2244 - 2251
a	8.1267 ± 0.0019 Å
b	12.837 ± 0.003 Å
c	9.775 ± 0.003 Å
α	90°
β	99.493 ± 0.012°
γ	90°
Cell volume	1005.8 ± 0.5 Å³
Cell temperature	223.1 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 significantly intense reflections	0.0268
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	0.617
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4103906.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103906.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103906.cif
28383	2011-10-26	../uploads/cif-deposit/cod/cif Adding structures of 4103906 via cif-deposit CGI script.	4103906.cif