Crystallography Open Database

Information card for entry 4134526

Preview

Coordinates	4134526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H110 N26 O22.33 P1.33
Calculated formula	C90 H110 N26 O22.3333 P1.33333
Title of publication	Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.
Authors of publication	Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	13
Pages of publication	6304 - 6311
a	42.271 ± 0.006 Å
b	42.271 Å
c	42.271 Å
α	90°
β	90°
γ	90°
Cell volume	75531 ± 11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.02 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1427
Residual factor for significantly intense reflections	0.108
Weighted residual factors for significantly intense reflections	0.2926
Weighted residual factors for all reflections included in the refinement	0.3237
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
250053 (current)	2020-04-04	cif/ Updating files of 4134525, 4134526, 4134527, 4134528 Original log message: Adding full bibliography for 4134525--4134528.cif.	4134526.cif
249660	2020-03-25	cif/ Adding structures of 4134526 via cif-deposit CGI script.	4134526.cif