Crystallography Open Database

Information card for entry 7224198

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Coordinates	7224198.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5,11,17,23-Tetra-tert-butyl-25,27-di[(hydrazinocarbonyl)methoxy]-26,28-di[(hydroxycarbonyl)methoxy]- 2,8,14,20-tetrathiacalix[4]arene
Formula	C50 H66 N4 O11 S5
Calculated formula	C50 H66 N4 O11 S5
Title of publication	Synthesis, structure and coordinating properties of novel bifunctional carboxylic derivatives of 1,3-alternate tetrathiacalix[4]arene
Authors of publication	Podyachev, Sergey Nicolaevich; Gimazetdinova, Gulnaz; Gubaidullin, Aidar Timergalievich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Gabidullin, Bulat; Ivanov, Vladimir Timofeevich; Gogolashvili, Edward Lavrentievich; Konovalov, Alexander Ivanovich
Journal of publication	RSC Adv.
Year of publication	2016
a	13.163 ± 0.005 Å
b	29.199 ± 0.011 Å
c	15.137 ± 0.005 Å
α	90°
β	91.473 ± 0.005°
γ	90°
Cell volume	5816 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.2629
Residual factor for significantly intense reflections	0.1075
Weighted residual factors for significantly intense reflections	0.2694
Weighted residual factors for all reflections included in the refinement	0.3323
Goodness-of-fit parameter for all reflections included in the refinement	0.856
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176380 (current)	2016-02-11	cif/ Adding structures of 7224198, 7224199, 7224200, 7224201, 7224202 via cif-deposit CGI script.	7224198.cif