Crystallography Open Database

Information card for entry 1546525

Preview

Coordinates	1546525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 O6 Zn
Calculated formula	C34 H46 O6 Zn
SMILES	[Zn](/C=C(Oc1ccc(cc1)C(C)(C)C)/C(C(=O)OC)(C)C)/C=C(\Oc1ccc(cc1)C(C)(C)C)C(C(=O)OC)(C)C
Title of publication	Regio- and Stereoselective Anti-Carbozincation of Alkynyl Ethers Using ZnBr2 toward (Z)-β-Zincated Enol Ether Synthesis
Authors of publication	Nishimoto, Yoshihiro; Kang, Kyoungmin; Yasuda, Makoto
Journal of publication	Organic Letters
Year of publication	2017
a	14.2444 ± 0.0005 Å
b	19.1938 ± 0.0006 Å
c	14.3952 ± 0.0006 Å
α	90°
β	24.1526 ± 0.0007°
γ	90°
Cell volume	1610.37 ± 0.11 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1546525.html