Crystallography Open Database

Information card for entry 7159702

Preview

Coordinates	7159702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 O6
Calculated formula	C17 H20 O6
SMILES	O=C(O[C@@H]1[C@H](O[C@H]2[C@@H](OCc3ccccc3)[C@@H]1OC(=O)C2)C)C
Title of publication	Bioinspired synthesis and biological evaluation of <i>ent</i>-protulactones A and B.
Authors of publication	Liang, Changxu; Hu, Chao; Nie, Pengpeng; Liu, Yuanfang; Liu, Jun; Du, Yuguo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	22
Journal issue	1
Pages of publication	175 - 183
a	7.1304 ± 0.0002 Å
b	10.9898 ± 0.0003 Å
c	20.539 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1609.47 ± 0.07 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 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	0.0431
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
289606 (current)	2024-02-04	cif/ Updating files of 7159702 Original log message: Adding full bibliography for 7159702.cif.	7159702.cif
287854	2023-11-29	cif/ Adding structures of 7159702 via cif-deposit CGI script.	7159702.cif