Crystallography Open Database

Information card for entry 1556850

Preview

Coordinates	1556850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 O3
Calculated formula	C20 H28 O3
SMILES	O=C1C[C@]2([C@@H]3[C@@H](O)[C@@H]4C(=O)C[C@@H](C)[C@]3(C4(C)C)CCC(=C12)C)C
Title of publication	l-Phenylalanine Alters the Privileged Secondary Metabolite Production in the Marine-Derived Fungus Trichoderma erinaceum F1-1
Authors of publication	Guo, Yong-Wei; Gong, Ben-Qiang; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Huang, Yun; Li, Jian-Feng; Yang, De-Po; Lan, Wen-Jian
Journal of publication	Journal of Natural Products
Year of publication	2019
a	8.26597 ± 0.00008 Å
b	9.64323 ± 0.00009 Å
c	10.64668 ± 0.00011 Å
α	90°
β	98.2546 ± 0.0009°
γ	90°
Cell volume	839.862 ± 0.014 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
246315 (current)	2019-12-31	cif/ Adding structures of 1556850 via cif-deposit CGI script.	1556850.cif