Crystallography Open Database

Information card for entry 7220772

7220771 << 7220772 >> 7220773

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Structure parameters

Common name	1,4-bis[(3,3,-diphenyl-3-(3?-(tri-isopropylsylanoxy)-phenyl)-prop-1-yn-1-yl)]-2,3-difluorobenzene'
Chemical name	1,4-bis[(3,3,-diphenyl-3-(3?-(tri-isopropylsylanoxy)-phenyl)-prop-1-yn-1-yl)]-2,3-difluorobenzene
Formula	C66 H72 F2 O2 Si2
Calculated formula	C66 H72 F2 O2 Si2
Title of publication	Crystalline arrays of molecular rotors with TIPS-trityl and phenolic-trityl stators using phenylene, 1,2-difluorophenylene and pyridine rotators
Authors of publication	Arcos-Ramos, Rafael; Rodriguez-Molina, Braulio; Ramirez-Montes, Pedro; Gonzalez-Rodriguez, Edgar; Ochoa, Maria; Santillan, Rosa; Farfán, Norberto; Garcia-Garibay, Miguel A
Journal of publication	RSC Adv.
Year of publication	2015
a	25.0222 ± 0.0005 Å
b	29.7701 ± 0.0005 Å
c	7.4948 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5582.98 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1799
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.2778
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220772.cif
139252	2015-06-16	cif/ Adding structures of 7220772, 7220773, 7220774, 7220775, 7220776 via cif-deposit CGI script.	7220772.cif