Crystallography Open Database

Information card for entry 7133410

Preview

Coordinates	7133410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C161.8 H256.4 Br10 N10 O37
Calculated formula	C161.8 H256.4 Br10 N10 O37
Title of publication	Rim-differentiated pillar[5]arene-modified surfaces for rapid PFOA/PFOS detection.
Authors of publication	Gao, Tu-Nan; Yang, Zhen; Goed, Jesse M. S.; Zuilhof, Han; Miloserdov, Fedor M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	72
Pages of publication	9789 - 9792
a	26.50453 ± 0.00014 Å
b	14.53119 ± 0.00006 Å
c	25.82392 ± 0.00016 Å
α	90°
β	114.266 ± 0.0007°
γ	90°
Cell volume	9067.12 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
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	0.0395
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295152 (current)	2024-10-06	cif/ Updating files of 7133410 Original log message: Adding full bibliography for 7133410.cif.	7133410.cif
293565	2024-07-28	cif/ Adding structures of 7133410 via cif-deposit CGI script.	7133410.cif