Crystallography Open Database

Information card for entry 4132090

4132089 << 4132090 >> 4132091

Preview

Coordinates	4132090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C177.96 H221.9 N43.99 O40 P2
Calculated formula	C173.952 H191.88 N43.494 O40 P2
Title of publication	Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.
Authors of publication	Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	15
Pages of publication	5248 - 5256
a	24.088 ± 0.0006 Å
b	60.3283 ± 0.0014 Å
c	67.581 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	98208 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.1017
Weighted residual factors for significantly intense reflections	0.2761
Weighted residual factors for all reflections included in the refinement	0.2891
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242128 (current)	2019-11-26	cif/ Adding structures of 4132089, 4132090, 4132091 via cif-deposit CGI script.	4132090.cif