Crystallography Open Database

Information card for entry 4107905

Preview

Coordinates	4107905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H19 B2 F40 N O
Calculated formula	C71 H19 B2 F40 N O
Title of publication	Pyrylogens: Synthesis, Structural, Electrochemical, and Photophysical Characterization of a New Class of Electron Transfer Sensitizers
Authors of publication	Edward L. Clennan; Chen Liao; Erambo Ayokosok
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7552 - 7553
a	19.306 ± 0.003 Å
b	16.092 ± 0.003 Å
c	21.832 ± 0.004 Å
α	90°
β	108.852 ± 0.008°
γ	90°
Cell volume	6419 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1047
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178825 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/79.	4107905.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107905.cif
56230	2012-05-09	cif/ Adding structures of 4107905 via cif-deposit CGI script.	4107905.cif