Crystallography Open Database

Information card for entry 4025271

Preview

Coordinates	4025271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H94 F24 N6 O10 P4
Calculated formula	C96 H94 F24 N6 O10 P4
Title of publication	Synthesis of a Triptycene-Derived Bisparaphenylene-34-crown-10 and Its Complexation with Both Paraquat and Cyclobis(paraquat-p-phenylene)
Authors of publication	Yi Jiang; Jing Cao; Jian-Min Zhao; Jun-Feng Xiang; Chuan-Feng Chen
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	1767 - 1770
a	18.56 ± 0.004 Å
b	27.852 ± 0.006 Å
c	19.693 ± 0.004 Å
α	90°
β	92.36 ± 0.03°
γ	90°
Cell volume	10171 ± 4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2352
Weighted residual factors for all reflections included in the refinement	0.2465
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4025271.html