Crystallography Open Database

Information card for entry 1559806

Preview

Coordinates	1559806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H40 O3
Calculated formula	C25 H40 O3
Title of publication	Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.
Authors of publication	Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	12
Pages of publication	3652 - 3660
a	20.7302 ± 0.0008 Å
b	27.0653 ± 0.0011 Å
c	8.4653 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4749.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1207
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260432 (current)	2021-01-04	cif/ Updating files of 1559804, 1559805, 1559806 Original log message: Adding full bibliography for 1559804--1559806.cif.	1559806.cif
259933	2020-12-17	cif/ Adding structures of 1559806 via cif-deposit CGI script.	1559806.cif