Crystallography Open Database

Information card for entry 1546001

Preview

Coordinates	1546001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 O3
Calculated formula	C15 H16 O3
SMILES	O=C1[C@@H]2O[C@H]3[C@@]4([C@H]2C(=O)CC4)[C@H](C)CC=CC3=C1.O=C1[C@H]2O[C@@H]3[C@]4([C@@H]2C(=O)CC4)[C@@H](C)CC=CC3=C1
Title of publication	Toward the Total Synthesis of Eurifoloid A.
Authors of publication	Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	10
Pages of publication	2742 - 2745
a	7.8742 ± 0.001 Å
b	12.2573 ± 0.0003 Å
c	13.1272 ± 0.0004 Å
α	90°
β	107.166 ± 0.01°
γ	90°
Cell volume	1210.55 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0518
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
197483 (current)	2017-06-05	cif/ Updating files of 1546001 Original log message: Adding full bibliography for 1546001.cif.	1546001.cif
196596	2017-05-10	cif/ Adding structures of 1546001 via cif-deposit CGI script.	1546001.cif