Crystallography Open Database

Information card for entry 7062768

Preview

Coordinates	7062768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H76 O6 S4
Calculated formula	C58 H76 O6 S4
Title of publication	Gallic acid-based dendrimers with a thiacalix[4]arene core: synthesis, aggregation and use for stabilization of Pd nanoparticles
Authors of publication	Fatykhova, Aigul M.; Sultanova, Elza D.; Burilov, Vladimir A.; Gafiatullin, Bulat Kh.; Fedoseeva, Angelina A.; Veshta, Tatyana A.; Ziganshin, Marat A.; Ziganshina, Sufia A.; Evtugyn, Vladimir G.; Islamov, Daut R.; Usachev, Konstantin S.; Solovieva, Svetlana E.; Antipin, Igor S.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	41
Pages of publication	19223 - 19234
a	13.14781 ± 0.00015 Å
b	26.9146 ± 0.0003 Å
c	15.17255 ± 0.00019 Å
α	90°
β	90.3359 ± 0.0011°
γ	90°
Cell volume	5368.99 ± 0.11 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
287375 (current)	2023-11-06	cif/ Updating files of 7062767, 7062768 Original log message: Adding full bibliography for 7062767--7062768.cif.	7062768.cif
286569	2023-09-28	cif/ Adding structures of 7062767, 7062768 via cif-deposit CGI script.	7062768.cif