Crystallography Open Database

Information card for entry 1545661

Preview

Coordinates	1545661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 O5
Calculated formula	C18 H26 O5
SMILES	O([C@H]1O[C@H]([C@@H](OC)C1)[C@]1(Oc2c(CC1)c(OC)cc(c2)C)C)C.O([C@@H]1O[C@@H]([C@H](OC)C1)[C@@]1(Oc2c(CC1)c(OC)cc(c2)C)C)C
Title of publication	Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.
Authors of publication	Xiao, Zheming; Li, Yayue; Gao, Shuanhu
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	7
Pages of publication	1834 - 1837
a	13.7608 ± 0.0004 Å
b	7.3158 ± 0.0002 Å
c	17.9639 ± 0.0005 Å
α	90°
β	104.13 ± 0.001°
γ	90°
Cell volume	1753.73 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0556
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
196187 (current)	2017-05-05	cif/ Updating files of 1545661, 1545662, 1545663 Original log message: Adding full bibliography for 1545661--1545663.cif.	1545661.cif
194628	2017-03-31	cif/ Adding structures of 1545661 via cif-deposit CGI script.	1545661.cif