Crystallography Open Database

Information card for entry 1552265

Preview

Coordinates	1552265.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Marek144b (Veeru)
Formula	C26 H36 O Si
Calculated formula	C26 H36 O Si
SMILES	C[Si](C)(C)C1=C[C@@](COC)(c2ccccc2)[C@](C)(c2ccccc12)CCCC.C[Si](C)(C)C1=C[C@](COC)(c2ccccc2)[C@@](C)(c2ccccc12)CCCC
Title of publication	Diastereoselective Ring Opening of Fully-Substituted Cyclopropanes via Intramolecular Friedel‒Crafts Alkylation
Authors of publication	Marek, Ilan; Lanke, Veeranjaneyulu; Zhang, Fa-Guang; Kaushansky, Alexander
Journal of publication	Chemical Science
Year of publication	2019
a	7.9935 ± 0.0012 Å
b	17.041 ± 0.003 Å
c	17.626 ± 0.003 Å
α	93.882 ± 0.004°
β	98.155 ± 0.003°
γ	92.157 ± 0.004°
Cell volume	2368.5 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0725
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
217763 (current)	2019-08-28	cif/ Adding structures of 1552265, 1552266 via cif-deposit CGI script.	1552265.cif