Crystallography Open Database

Information card for entry 4133512

Preview

Coordinates	4133512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H58 F24 N4 O2 P4
Calculated formula	C76 H58 F24 N4 O2 P4
Title of publication	A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.
Authors of publication	Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	3
Pages of publication	1280 - 1289
a	17.802 ± 0.004 Å
b	17.802 ± 0.004 Å
c	26.606 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	8432 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
Space group number	109
Hermann-Mauguin space group symbol	I 41 m d
Hall space group symbol	I 4bw -2
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
243282 (current)	2019-11-26	cif/ Adding structures of 4133512 via cif-deposit CGI script.	4133512.cif