Crystallography Open Database

Information card for entry 4518786

Preview

Coordinates	4518786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H50 N2 O6 S2
Calculated formula	C50 H50 N2 O6 S2
Title of publication	Hierarchically Evolved Supramolecular Chirality Mediated by Arene-Perfluoroarene Interaction.
Authors of publication	Liang, Juncong; Zhang, Heng; Hao, Aiyou; Xing, Pengyao
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	24
Pages of publication	29170 - 29178
a	17.2358 ± 0.0008 Å
b	4.9787 ± 0.0002 Å
c	25.0265 ± 0.0009 Å
α	90°
β	97.307 ± 0.004°
γ	90°
Cell volume	2130.13 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
266951 (current)	2021-07-04	cif/ Updating files of 4518786 Original log message: Adding full bibliography for 4518786.cif.	4518786.cif
266306	2021-06-10	cif/ Adding structures of 4518786 via cif-deposit CGI script.	4518786.cif