Crystallography Open Database

Information card for entry 7204989

7204988 << 7204989 >> 7204990

Preview

Coordinates	7204989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 N2
Calculated formula	C38 H31 N2
Title of publication	Tetraaryl biphenyl diamine hole transport materials: a structural study utilizing both single crystal and high resolution powder diffraction
Authors of publication	Kennedy, Alan R.; Smith, W. Ewen; Tackley, Daniel R.; David, William I. F.; Shankland, Kenneth; Brown, Bev; Teat, Simon J.
Journal of publication	Journal of Materials Chemistry
Year of publication	2002
Journal volume	12
Journal issue	2
Pages of publication	168
a	11.068 ± 0.002 Å
b	14.472 ± 0.002 Å
c	17.82 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2854.3 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.6892 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180380 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/49.	7204989.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204989.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204989.cif
4025	2010-12-16	../uploads/cif-deposit/cod/cif Adding structures of 7204989 via cif-deposit CGI script.	7204989.cif