Crystallography Open Database

Information card for entry 7126783

Preview

Coordinates	7126783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C135 H146 N2 O41 S10
Calculated formula	C131 H138 N2 O40 S10
Title of publication	Pertosylated pillar[5]arene: self-template assisted synthesis and supramolecular polymer formation.
Authors of publication	Ruengsuk, Araya; Khamphaijun, Korawit; Pananusorn, Puttipong; Docker, Andrew; Tantirungrotechai, Jonggol; Sukwattanasinitt, Mongkol; Harding, David J.; Bunchuay, Thanthapatra
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	62
Pages of publication	8739 - 8742
a	14.98554 ± 0.00016 Å
b	18.2946 ± 0.0002 Å
c	28.2056 ± 0.0002 Å
α	103.655 ± 0.0009°
β	90.0967 ± 0.0008°
γ	113.613 ± 0.0011°
Cell volume	6844.65 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.2062
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
256007 (current)	2020-09-06	cif/ Updating files of 7126782, 7126783 Original log message: Adding full bibliography for 7126782--7126783.cif.	7126783.cif
253539	2020-06-30	cif/ Adding structures of 7126782, 7126783 via cif-deposit CGI script.	7126783.cif