Crystallography Open Database

Information card for entry 1561943

1561942 << 1561943 >> 1561944

Preview

Coordinates	1561943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 N4 O6
Calculated formula	C46 H52 N4 O6
SMILES	C1(=O)c2c(ccc(c2)C(=C(\c2cc3C(=O)N(C(=O)[nH]c3cc2)C(C)(C)C)c2ccccc2)/c2ccccc2)[nH]C(=O)N1C(C)(C)C.O1CCCC1.O1CCCC1
Title of publication	CO2-Involved and Isocyanide-Based Three-Component Polymerization toward Functional Heterocyclic Polymers with Self-Assembly and Sensing Properties
Authors of publication	Liu, Dongming; Song, Bo; Wang, Jia; Li, Baoxi; Wang, Bingnan; Li, Mingzhao; Qin, Anjun; Tang, Ben Zhong
Journal of publication	Macromolecules
Year of publication	2021
a	21.6002 ± 0.0005 Å
b	13.9128 ± 0.0003 Å
c	15.8199 ± 0.0006 Å
α	90°
β	120.926 ± 0.001°
γ	90°
Cell volume	4078.3 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
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	0.0572
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
264321 (current)	2021-04-20	cif/ Adding structures of 1561943 via cif-deposit CGI script.	1561943.cif