Crystallography Open Database

Information card for entry 1563743

Preview

Coordinates	1563743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 N2 O4
Calculated formula	C30 H40 N2 O4
SMILES	C1(=O)[C@]23[C@H]([C@H](Cc4c[nH]c5c4cccc5)N1)C(=C([C@H]([C@@H]2/C=C/C[C@@H](CCCCC3=O)C)O)C)C.CO
Title of publication	[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells
Authors of publication	Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li
Journal of publication	Journal of Natural Products
Year of publication	2021
a	11.5437 ± 0.0002 Å
b	9.9455 ± 0.0002 Å
c	11.8095 ± 0.0002 Å
α	90°
β	102.819 ± 0.001°
γ	90°
Cell volume	1322.03 ± 0.04 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 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	0.0361
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266748 (current)	2021-06-29	cif/ Adding structures of 1563743 via cif-deposit CGI script.	1563743.cif