Crystallography Open Database

Information card for entry 1569202

Preview

Coordinates	1569202.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dyn[4]arene
Formula	C37 H32.5 N2 O17.75 S8
Calculated formula	C37 H32.5 N2 O17.75 S8
Title of publication	Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.
Authors of publication	Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	26
Pages of publication	7126 - 7135
a	10.7495 ± 0.0018 Å
b	11.9064 ± 0.0017 Å
c	19.424 ± 0.003 Å
α	90°
β	98.589 ± 0.014°
γ	90°
Cell volume	2458.2 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.1547
Residual factor for significantly intense reflections	0.0917
Weighted residual factors for significantly intense reflections	0.2248
Weighted residual factors for all reflections included in the refinement	0.2683
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286055 (current)	2023-09-05	cif/ Updating files of 1569201, 1569202, 1569203, 1569204 Original log message: Adding full bibliography for 1569201--1569204.cif.	1569202.cif
283988	2023-05-25	cif/ Adding structures of 1569201, 1569202, 1569203, 1569204 via cif-deposit CGI script.	1569202.cif