Crystallography Open Database

Information card for entry 1565111

Preview

Coordinates	1565111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 O10
Calculated formula	C26 H32 O10
SMILES	O1C2=C(O[C@@H]3OC(=O)[C@]4([C@@H]3[C@]2(C(=O)OC)[C@]2([C@@H](O)[C@@H]1[C@@]1(OC(=O)CC1=C([C@@H]2C4)C)C(O)(C)C)C)C)C
Title of publication	Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.
Authors of publication	Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	10
Pages of publication	2727 - 2737
a	8.2185 ± 0.0002 Å
b	8.4465 ± 0.0002 Å
c	10.2022 ± 0.0003 Å
α	112.706 ± 0.003°
β	95.017 ± 0.002°
γ	110.165 ± 0.002°
Cell volume	593.06 ± 0.03 Å³
Cell temperature	106 ± 9 K
Ambient diffraction temperature	106 ± 9 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270282 (current)	2021-11-04	cif/ Adding structures of 1565111 via cif-deposit CGI script.	1565111.cif