Crystallography Open Database

Information card for entry 7159926

Preview

Coordinates	7159926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 O3
Calculated formula	C25 H42 O3
SMILES	O1[C@]2(O)C[C@@H]3[C@@](O)(CC[C@@H]3C)[C@@H]([C@]31[C@@H]([C@H]2C)C[C@@]1([C@@H](C3)[C@H](CC1)C(C)C)C)C
Title of publication	Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus <i>Chaetomium globosum</i> SD-347.
Authors of publication	Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	19
Pages of publication	3979 - 3985
a	8.005 Å
b	10.685 Å
c	26.893 Å
α	90°
β	90°
γ	90°
Cell volume	2300.25 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.09
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.25
Weighted residual factors for all reflections included in the refinement	0.2563
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293247 (current)	2024-07-05	cif/ Updating files of 7159925, 7159926, 7159927 Original log message: Adding full bibliography for 7159925--7159927.cif.	7159926.cif
291429	2024-05-01	cif/ Adding structures of 7159925, 7159926, 7159927 via cif-deposit CGI script.	7159926.cif