Crystallography Open Database

Information card for entry 7119782

7119781 << 7119782 >> 7119783

Preview

Coordinates	7119782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34 O2 Si
Calculated formula	C42 H34 O2 Si
SMILES	c1(ccccc1)[Si](c1ccccc1)(c1ccccc1)[C@H](C)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12
Title of publication	Ru(ii)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers.
Authors of publication	Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	26
Pages of publication	3753 - 3756
a	10.9103 ± 0.0002 Å
b	12.8039 ± 0.0003 Å
c	12.816 ± 0.0003 Å
α	94.2055 ± 0.0015°
β	104.224 ± 0.0014°
γ	112.073 ± 0.0014°
Cell volume	1580.65 ± 0.06 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194962 (current)	2017-04-05	cif/ Updating files of 7119782, 7119783 Original log message: Adding full bibliography for 7119782--7119783.cif.	7119782.cif
194136	2017-03-10	cif/ Adding structures of 7119782, 7119783 via cif-deposit CGI script.	7119782.cif