Crystallography Open Database

Information card for entry 4127343

Preview

Coordinates	4127343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 O5
Calculated formula	C18 H22 O5
Title of publication	Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.
Authors of publication	Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	20
Pages of publication	8372 - 8380
a	14.9673 ± 0.0004 Å
b	10.4532 ± 0.0003 Å
c	20.7264 ± 0.0007 Å
α	90°
β	93.571 ± 0.003°
γ	90°
Cell volume	3236.48 ± 0.17 Å³
Cell temperature	180 ± 0.2 K
Ambient diffraction temperature	180 ± 0.2 K
Number of distinct elements	3
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	0.0786
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
220628 (current)	2019-11-02	cif/ Adding structures of 4127343 via cif-deposit CGI script.	4127343.cif