Crystallography Open Database

Information card for entry 7240253

Preview

Coordinates	7240253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 O2 Si
Calculated formula	C18 H16 O2 Si
SMILES	[Si](OO)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides
Authors of publication	Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	11
Pages of publication	1922 - 1928
a	9.8022 ± 0.0003 Å
b	11.3939 ± 0.0003 Å
c	14.907 ± 0.0004 Å
α	88.3116 ± 0.0011°
β	89.7934 ± 0.0011°
γ	65.7475 ± 0.001°
Cell volume	1517.23 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0538
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257484 (current)	2020-10-06	cif/ Updating files of 7240253, 7240254, 7240255 Original log message: Adding full bibliography for 7240253--7240255.cif.	7240253.cif
250131	2020-04-04	cif/ Adding structures of 7240253, 7240254, 7240255 via cif-deposit CGI script.	7240253.cif