Crystallography Open Database

Information card for entry 1560802

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Structure parameters

Formula	C30 H28 O10
Calculated formula	C30 H28 O10
SMILES	O([C@H]1[C@@]23c4c5C(=C(OC)C(=O)c6c5c(c5c4c(C1=O)c(O)cc5OC)c(OC)cc6O)[C@H]([C@@](O)(C3)C)[C@]2(O)C)C
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	8.381 ± 0.0002 Å
b	9.3907 ± 0.0002 Å
c	32.0572 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2523.01 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0323
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1560802.cif
262425	2021-03-04	cif/ Adding structures of 1560802 via cif-deposit CGI script.	1560802.cif