Crystallography Open Database

Information card for entry 7222038

7222037 << 7222038 >> 7222039

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Coordinates	7222038.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hexaphenyldisiloxane
Chemical name	di(triphenylsilane)ether
Formula	C36 H30 O Si2
Calculated formula	C36 H30 O Si2
SMILES	c1(ccccc1)[Si](c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Synthesis, characterization and theoretical calculations of model compounds of silanols catalyzed by TEMPO to elucidate the presence of Si-O-Si and Si-O-N bonds.
Authors of publication	Percino, M. Judith; Pacheco, José Alberto; Soriano, Guillermo; Ceron, Margarita; Castro, María Eugenia; Chapela, Víctor M.; bonilla-cruz, jose; Lara, Tania; Flores, Mildred; Saldivar, Enrique
Journal of publication	RSC Adv.
Year of publication	2015
a	8.5829 ± 0.0004 Å
b	9.4856 ± 0.0004 Å
c	10.9694 ± 0.0005 Å
α	95.951 ± 0.004°
β	111.779 ± 0.004°
γ	113.352 ± 0.004°
Cell volume	727.71 ± 0.07 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0328
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
155199 (current)	2015-09-08	cif/ Adding structures of 7222038 via cif-deposit CGI script.	7222038.cif