Crystallography Open Database

Information card for entry 7217730

Preview

Coordinates	7217730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H58 N4 O4
Calculated formula	C58 H58 N4 O4
SMILES	CC(C)Cc1cc(cc(n1)c1cc(cc(CC(C)C)n1)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
Title of publication	Factors controlling the photoresponse of copper(i) diimine dyes containing hole-transporting dendrons in dye-sensitized solar cells: substituent and solvent effects
Authors of publication	Brauchli, Sven Y.; Bozic-Weber, Biljana; Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Zampese, Jennifer A.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	66
Pages of publication	34801
a	9.998 ± 0.0004 Å
b	11.2625 ± 0.0004 Å
c	11.6848 ± 0.0005 Å
α	64.985 ± 0.001°
β	80.227 ± 0.002°
γ	89.948 ± 0.002°
Cell volume	1171.31 ± 0.08 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180508 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77.	7217730.cif
121932	2014-08-14	cif/ Adding structures of 7217730 via cif-deposit CGI script.	7217730.cif