Crystallography Open Database

Information card for entry 7118147

Preview

Coordinates	7118147.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Py2PhO-_KOH+18-crown-6-ether
Formula	C26 H36 K N3 O10
Calculated formula	C26 H36 K N3 O10
Title of publication	Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations.
Authors of publication	Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	99
Pages of publication	17572 - 17575
a	10.778 ± 0.003 Å
b	10.915 ± 0.003 Å
c	14.506 ± 0.004 Å
α	82.963 ± 0.005°
β	86.231 ± 0.004°
γ	63.226 ± 0.004°
Cell volume	1512 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1756
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.78291 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
170857 (current)	2015-12-07	cif/ Adding structures of 7118143, 7118144, 7118145, 7118146, 7118147, 7118148 via cif-deposit CGI script.	7118147.cif