Crystallography Open Database

Information card for entry 1565113

Preview

Coordinates	1565113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 O10
Calculated formula	C27 H36 O10
SMILES	O1C(=C2O[C@H]3[C@@]4(OC(=O)CC4=C([C@H]4[C@](C3)([C@@]2(C(=O)OC)[C@@H]2[C@H]1OC(=O)[C@@]2(C4)C)C)C)C(O)(C)C)C.OC
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	8.323 ± 0.0001 Å
b	13.9278 ± 0.0002 Å
c	11.0616 ± 0.0002 Å
α	90°
β	104.636 ± 0.001°
γ	90°
Cell volume	1240.66 ± 0.03 Å³
Cell temperature	99.9 ± 0.5 K
Ambient diffraction temperature	99.9 ± 0.5 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
270284 (current)	2021-11-04	cif/ Adding structures of 1565113 via cif-deposit CGI script.	1565113.cif