Crystallography Open Database

Information card for entry 1576284

Preview

Coordinates	1576284.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4F2MeOcat-10CPP
Formula	C74 H44 F4 O6
Calculated formula	C74 H44 F4 O6
Title of publication	Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.
Authors of publication	Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.
Journal of publication	Chemical science
Year of publication	2025
a	16.6117 ± 0.0012 Å
b	6.2942 ± 0.0007 Å
c	34.054 ± 0.004 Å
α	90°
β	93.239 ± 0.009°
γ	90°
Cell volume	3554.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2252
Residual factor for significantly intense reflections	0.1769
Weighted residual factors for significantly intense reflections	0.4212
Weighted residual factors for all reflections included in the refinement	0.463
Goodness-of-fit parameter for all reflections included in the refinement	1.219
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
303359 (current)	2025-11-25	cif/ Adding structures of 1576277, 1576278, 1576279, 1576280, 1576281, 1576282, 1576283, 1576284, 1576285, 1576286 via cif-deposit CGI script.	1576284.cif