Crystallography Open Database

Information card for entry 1542591

Preview

Coordinates	1542591.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Quadruply Phenylene-fused Porphyrin Tape
Formula	C79.27 H80.86 N5.59 Zn
Calculated formula	C79.282 H78.252 N5.594 Zn
Title of publication	Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent
Authors of publication	Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	7
Pages of publication	4059
a	10.0013 ± 0.0012 Å
b	14.5831 ± 0.001 Å
c	24.366 ± 0.004 Å
α	75.428 ± 0.016°
β	87.017 ± 0.019°
γ	71.26 ± 0.02°
Cell volume	3255.5 ± 0.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0628
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185114 (current)	2016-08-07	cif/ Updating files of 1542591, 1542592, 1542593, 1542594 Original log message: Adding full bibliography for 1542591--1542594.cif.	1542591.cif
177105	2016-03-02	cif/ Adding structures of 1542591, 1542592, 1542593, 1542594 via cif-deposit CGI script.	1542591.cif