Crystallography Open Database

Information card for entry 1520502

1520501 << 1520502 >> 1520503

Preview

Coordinates	1520502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H20 F4 N4 O4
Calculated formula	C37 H20 F4 N4 O4
SMILES	c1(C#N)c(c(c(C#N)c2Oc3c(cc4c(c3)C(C)(C)CC34CC(C)(C)c4c3cc3Oc5c(c(C#N)c(c(c5C#N)F)F)Oc3c4)Oc12)F)F
Title of publication	Synthesis of perfectly alternating copolymers for polymers of intrinsic microporosity
Authors of publication	Zhang, Jian; Jin, Jianyong; Cooney, Ralph; Fu, Qiang; Qiao, Greg G.; Thomas, Sylvie; Merkel, Tim C.
Journal of publication	Polym. Chem.
Year of publication	2015
Journal volume	6
Journal issue	28
Pages of publication	5003
a	22.674 ± 0.003 Å
b	10.0584 ± 0.0012 Å
c	13.4593 ± 0.0016 Å
α	90°
β	99.514 ± 0.009°
γ	90°
Cell volume	3027.4 ± 0.7 Å³
Cell temperature	372 ± 2 K
Ambient diffraction temperature	372 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1625
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.2117
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
143771 (current)	2015-07-11	cif/ Updating files of 1520502 Original log message: Adding full bibliography for 1520502.cif.	1520502.cif
139036	2015-06-10	cif/ Adding structures of 1520502 via cif-deposit CGI script.	1520502.cif