Crystallography Open Database

Information card for entry 1559804

Preview

Coordinates	1559804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H37 Cl3 O2
Calculated formula	C26 H37 Cl3 O2
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	10.8235 ± 0.0017 Å
b	10.926 ± 0.002 Å
c	11.4404 ± 0.0013 Å
α	90°
β	94.553 ± 0.013°
γ	90°
Cell volume	1348.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2008
Residual factor for significantly intense reflections	0.1155
Weighted residual factors for significantly intense reflections	0.2549
Weighted residual factors for all reflections included in the refinement	0.3274
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	1559804.cif
259931	2020-12-17	cif/ Adding structures of 1559804 via cif-deposit CGI script.	1559804.cif