Crystallography Open Database

Information card for entry 1560803

Preview

Coordinates	1560803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 O12
Calculated formula	C30 H30 O12
SMILES	O(c1c2c3c4C(=C(OC)C(=O)c3c(O)c1)[C@H]1[C@](O)([C@@]3(c4c4c(c(O)cc(OC)c24)C(=O)[C@H]3OC)C[C@@]1(O)C)C)C.O.O
Title of publication	Axial Chiral Binaphthoquinone and Perylenequinones from the Stromata of <i>Hypocrella bambusae</i> Are SARS-CoV-2 Entry Inhibitors.
Authors of publication	Li, Yu-Ting; Yang, Chan; Wu, Yan; Lv, Jun-Jiang; Feng, Xiao; Tian, Xiaofei; Zhou, Zhengzheng; Pan, Xiaoyan; Liu, Shuwen; Tian, Li-Wen
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	2
Pages of publication	436 - 443
a	13.1752 ± 0.00013 Å
b	17.53391 ± 0.00017 Å
c	23.9821 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5540.17 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1618
Weighted residual factors for all reflections included in the refinement	0.1644
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
262426 (current)	2021-03-04	cif/ Adding structures of 1560803 via cif-deposit CGI script.	1560803.cif