Crystallography Open Database

Information card for entry 1568545

Preview

Coordinates	1568545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 O8
Calculated formula	C54 H36 O8
Title of publication	Dynamic covalent bond and metal coordination bond-cross-linked silicone elastomers with excellent mechanical and aggregation-induced emission properties
Authors of publication	Wang, Ning; Feng, Hui-Wei; Hao, Xinhui; Cao, Yang; Xu, Xing-Dong; Feng, Shengyu
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	12
Pages of publication	1396 - 1403
a	9.6319 ± 0.0007 Å
b	26.669 ± 0.002 Å
c	18.8824 ± 0.0015 Å
α	90°
β	94.412 ± 0.003°
γ	90°
Cell volume	4836 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.2934
Weighted residual factors for all reflections included in the refinement	0.3085
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282347 (current)	2023-04-04	cif/ Updating files of 1568545, 1568546 Original log message: Adding full bibliography for 1568545--1568546.cif.	1568545.cif
281219	2023-03-01	cif/ Adding structures of 1568545, 1568546 via cif-deposit CGI script.	1568545.cif