Crystallography Open Database

Information card for entry 7160356

Preview

Coordinates	7160356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H38 F6 O8 S4
Calculated formula	C56 H36 F6.003 O8 S4
Title of publication	Precise assembly/disassembly of homo-type and hetero-type macrocycles with photoresponsive and non-photoresponsive dynamic covalent bonds.
Authors of publication	Deng, Junmiao; Lu, Hanwei; Ye, Hebo; Hai, Yu; Liu, Zimu; You, Lei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	10
Pages of publication	2498 - 2509
a	10.8235 ± 0.0003 Å
b	15.9748 ± 0.0005 Å
c	17.4694 ± 0.0005 Å
α	63.307 ± 0.003°
β	80.7 ± 0.002°
γ	87.091 ± 0.002°
Cell volume	2662.32 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299061 (current)	2025-04-05	cif/ Updating files of 7160356 Original log message: Adding full bibliography for 7160356.cif.	7160356.cif
297557	2025-02-01	cif/ Adding structures of 7160356 via cif-deposit CGI script.	7160356.cif