Crystallography Open Database

Information card for entry 1568546

Preview

Coordinates	1568546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H64 N4 O4
Calculated formula	C66 H64 N4 O4
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	9.3439 ± 0.0011 Å
b	17.753 ± 0.002 Å
c	18.6225 ± 0.0018 Å
α	83.662 ± 0.005°
β	76.429 ± 0.005°
γ	87.119 ± 0.005°
Cell volume	2983.6 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1568
Residual factor for significantly intense reflections	0.1073
Weighted residual factors for significantly intense reflections	0.3326
Weighted residual factors for all reflections included in the refinement	0.3772
Goodness-of-fit parameter for all reflections included in the refinement	1.337
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1568546.cif
281219	2023-03-01	cif/ Adding structures of 1568545, 1568546 via cif-deposit CGI script.	1568546.cif