Crystallography Open Database

Information card for entry 1569802

Preview

Coordinates	1569802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H52 N2 O4 S4
Calculated formula	C29 H52 N2 O4 S4
Title of publication	Ring-chain equilibria of dynamic macrocycles with a bis(hindered amino)disulfide linker
Authors of publication	Takashima, Rikito; Aoki, Daisuke; Kuwata, Shigeki; Otsuka, Hideyuki
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	37
Pages of publication	4344 - 4351
a	28.46 ± 0.002 Å
b	45.626 ± 0.003 Å
c	23.4507 ± 0.0017 Å
α	90°
β	91.944 ± 0.003°
γ	90°
Cell volume	30434 ± 4 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0915
Weighted residual factors for significantly intense reflections	0.2342
Weighted residual factors for all reflections included in the refinement	0.2555
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286815 (current)	2023-10-06	cif/ Updating files of 1569801, 1569802 Original log message: Adding full bibliography for 1569801--1569802.cif.	1569802.cif
286216	2023-09-06	cif/ Adding structures of 1569801, 1569802 via cif-deposit CGI script.	1569802.cif