Crystallography Open Database

Information card for entry 7126782

Preview

Coordinates	7126782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C125 H130 O40 S10
Calculated formula	C125 H130 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	21.5402 ± 0.0002 Å
b	22.7876 ± 0.0002 Å
c	28.6846 ± 0.0002 Å
α	90°
β	97.979 ± 0.001°
γ	90°
Cell volume	13943.5 ± 0.2 Å³
Cell temperature	199.97 ± 0.13 K
Ambient diffraction temperature	199.97 ± 0.13 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2371
Weighted residual factors for all reflections included in the refinement	0.2434
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7126782.cif
253539	2020-06-30	cif/ Adding structures of 7126782, 7126783 via cif-deposit CGI script.	7126782.cif