Crystallography Open Database

Information card for entry 7227264

Preview

Coordinates	7227264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H88 O30 Si8
Calculated formula	C77.4 H82.8 O29.35 Si8
Title of publication	Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane
Authors of publication	Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	3
Pages of publication	492
a	10.894 ± 0.003 Å
b	12.114 ± 0.003 Å
c	15.8 ± 0.003 Å
α	85.936 ± 0.01°
β	76.182 ± 0.009°
γ	78.08 ± 0.02°
Cell volume	1980.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.1825
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.8729 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191563 (current)	2017-02-04	cif/ Updating files of 7227263, 7227264 Original log message: Adding full bibliography for 7227263--7227264.cif.	7227264.cif
189112	2016-12-14	cif/ Adding structures of 7227263, 7227264 via cif-deposit CGI script.	7227264.cif