Crystallography Open Database

Information card for entry 1565112

Preview

Coordinates	1565112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 O11
Calculated formula	C27 H36 O11
SMILES	O1[C@@H]2OC(=O)[C@]3([C@@H]2[C@@]2(C(=O)OC)[C@@](O[C@H]4[C@@H]5O[C@@]5(C(=C([C@H](C3)[C@@]24C)C)CC(=O)OC)C(O)(C)C)(O)[C@@H]1C)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	12.2213 ± 0.0003 Å
b	13.16 ± 0.0003 Å
c	16.3151 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2624 ± 0.1 Å³
Cell temperature	99.9 ± 0.7 K
Ambient diffraction temperature	99.9 ± 0.7 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
270283 (current)	2021-11-04	cif/ Adding structures of 1565112 via cif-deposit CGI script.	1565112.cif