Crystallography Open Database

Information card for entry 1562347

Preview

Coordinates	1562347.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NATPP0083
Formula	C34 H42 O12
Calculated formula	C34 H42 O12
SMILES	c1(c(c(cc2O[C@]3([C@H](O)[C@H](CC=C3C(=O)c12)OC)C)C)c1c(O)c2C(=O)C3=CC[C@@H]([C@@H](O)[C@@]3(Oc2cc1C)C)OC)O.CO.CO
Title of publication	Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>.
Authors of publication	Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	4
Pages of publication	1149 - 1162
a	24.152 ± 0.004 Å
b	9.2708 ± 0.0016 Å
c	6.9096 ± 0.0011 Å
α	90°
β	94.898 ± 0.005°
γ	90°
Cell volume	1541.5 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264807 (current)	2021-05-04	cif/ Adding structures of 1562347 via cif-deposit CGI script.	1562347.cif