Crystallography Open Database

Information card for entry 7119783

7119782 << 7119783 >> 7119784

Preview

Coordinates	7119783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 O2 Si
Calculated formula	C33 H32 O2 Si
SMILES	[C@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)(C)[Si@H](C(C)C)c1ccccc1
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	7.8733 ± 0.0003 Å
b	11.1819 ± 0.0004 Å
c	29.729 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2617.3 ± 0.17 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
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.	7119783.cif
194136	2017-03-10	cif/ Adding structures of 7119782, 7119783 via cif-deposit CGI script.	7119783.cif