Crystallography Open Database

Information card for entry 1561479

Preview

Coordinates	1561479.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Chloropentaphenyldisiloxane
Formula	C30 H25 Cl O Si2
Calculated formula	C30 H25 Cl O Si2
SMILES	[Si](O[Si](Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Chloropentaphenyldisiloxane—Model Study on Intermolecular Interactions in the Crystal Structure of a Monofunctionalized Disiloxane
Authors of publication	Bauer, Jonathan O.; Götz, Tobias
Journal of publication	Chemistry
Year of publication	2021
Journal volume	3
Journal issue	2
Pages of publication	444 - 453
a	10.6741 ± 0.0002 Å
b	14.2858 ± 0.0002 Å
c	17.5012 ± 0.0003 Å
α	90°
β	99.597 ± 0.002°
γ	90°
Cell volume	2631.37 ± 0.08 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0397
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.39222 Å
Diffraction radiation type	CuKβ
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263865 (current)	2021-04-05	cif/ Adding structures of 1561479 via cif-deposit CGI script.	1561479.cif