Crystallography Open Database

Information card for entry 1557631

Preview

Coordinates	1557631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 Cl O6
Calculated formula	C23 H25 Cl O6
SMILES	ClC1C(=O)[C@]2(OC(=O)C(=C2C2C=1C=C(OC=2)/C=C/[C@H](CC)C)C(=O)[C@@H]([C@H](O)C)C)C
Title of publication	Cytotoxic Nitrogenated Azaphilones from the Deep-Sea-Derived Fungus Chaetomium globosum MP4-S01-7
Authors of publication	Wang, Weiyi; Yang, Jing; Liao, Yan-Yan; Cheng, Gang; Chen, Jing; Cheng, Xiang-Dong; Qin, Jiang-Jiang; Shao, Zongze
Journal of publication	Journal of Natural Products
Year of publication	2020
a	12.1671 ± 0.0008 Å
b	5.4176 ± 0.0004 Å
c	16.7266 ± 0.0011 Å
α	90°
β	107.932 ± 0.004°
γ	90°
Cell volume	1049 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0757
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
249587 (current)	2020-03-21	cif/ Adding structures of 1557631 via cif-deposit CGI script.	1557631.cif