Crystallography Open Database

Information card for entry 1556984

Preview

Coordinates	1556984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N5 O5
Calculated formula	C25 H25 N5 O5
SMILES	O=c1n2[C@H]3C[C@]4(O)c5ccccc5N5[C@@H]4N([C@H](NC3=O)c2nc2c1cccc2)[C@H](C5=O)C.OCC
Title of publication	Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.
Authors of publication	Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	1
Pages of publication	169 - 173
a	13.718 ± 0.001 Å
b	13.718 ± 0.001 Å
c	21.48 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	3500.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
247536 (current)	2020-02-04	cif/ Updating files of 1556983, 1556984 Original log message: Adding full bibliography for 1556983--1556984.cif.	1556984.cif
246703	2020-01-11	cif/ Adding structures of 1556984 via cif-deposit CGI script.	1556984.cif