Crystallography Open Database

Information card for entry 1547304

Preview

Coordinates	1547304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 O3 Si
Calculated formula	C19 H30 O3 Si
SMILES	[Si](O[C@]12C(=O)C[C@@]3(C(=O)CCC[C@@H]3C1)CC2=C)(C)(C)C(C)(C)C.[Si](O[C@@]12C(=O)C[C@]3(C(=O)CCC[C@H]3C1)CC2=C)(C)(C)C(C)(C)C
Title of publication	Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.
Authors of publication	Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	19
Pages of publication	5324 - 5327
a	7.2951 ± 0.0003 Å
b	25.7751 ± 0.001 Å
c	10.621 ± 0.0005 Å
α	90°
β	95.7546 ± 0.0029°
γ	90°
Cell volume	1987.02 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1252
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.1757
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
202804 (current)	2017-11-07	cif/ Updating files of 1547300, 1547301, 1547302, 1547303, 1547304 Original log message: Adding full bibliography for 1547300--1547304.cif.	1547304.cif
201150	2017-09-22	cif/ Adding structures of 1547304 via cif-deposit CGI script.	1547304.cif