Crystallography Open Database

Information card for entry 4124259

Preview

Coordinates	4124259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H72 O12 Si2
Calculated formula	C48 H72 O12 Si2
SMILES	C1(=O)[C@@]2(C[C@@]3(CC[C@@]4(C)CC(=O)C(=C4C3=CC[C@@H]2C(C)(C)O1)[Si](C)(C)C)O)O.C1(=O)[C@]2(C[C@]3(CC[C@]4(C)CC(=O)C(=C4C3=CC[C@H]2C(C)(C)O1)[Si](C)(C)C)O)O.CC(=O)OCC
Title of publication	Asymmetric Total Synthesis of Propindilactone G.
Authors of publication	You, Lin; Liang, Xin-Ting; Xu, Ling-Min; Wang, Yue-Fan; Zhang, Jia-Jun; Su, Qi; Li, Yuan-He; Zhang, Bo; Yang, Shou-Liang; Chen, Jia-Hua; Yang, Zhen
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	32
Pages of publication	10120 - 10123
a	6.3335 ± 0.0006 Å
b	38.2 ± 0.003 Å
c	19.9859 ± 0.0012 Å
α	90°
β	92.539 ± 0.007°
γ	90°
Cell volume	4830.6 ± 0.7 Å³
Cell temperature	180.01 ± 0.11 K
Ambient diffraction temperature	180.01 ± 0.11 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	0.0752
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
154667 (current)	2015-09-06	cif/ Updating files of 4124259, 4124260 Original log message: Adding full bibliography for 4124259--4124260.cif.	4124259.cif
153321	2015-08-11	cif/ Adding structures of 4124259 via cif-deposit CGI script.	4124259.cif