Crystallography Open Database

Information card for entry 7155990

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Structure parameters

Formula	C32 H26 O11
Calculated formula	C32 H26 O11
SMILES	O1c2c(C(=O)c3c1cc(cc3O)C)c([C@H]1OC(=O)c3c(O)cc(cc3Oc3c(cc(cc3O)OC)[C@@H]1O)C)cc(c2)OC.O1c2c(C(=O)c3c1cc(cc3O)C)c([C@@H]1OC(=O)c3c(O)cc(cc3Oc3c(cc(cc3O)OC)[C@H]1O)C)cc(c2)OC
Title of publication	(+)- and (–)-Ascomlactone A, a pair of Novel Dimeric Polyketides from a Mangrove Endophytic Fungus Ascomycota sp. SK2YWS-L
Authors of publication	Liu, Zhaoming; Chen, Senhua; Pei, Qiu; Chunbing, Tan; long, yuhua; Lu, Yongjun; She, Zhi-Gang
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2017
a	8.8974 ± 0.0002 Å
b	11.2339 ± 0.0002 Å
c	15.5141 ± 0.0003 Å
α	102.767 ± 0.002°
β	96.993 ± 0.002°
γ	90.293 ± 0.001°
Cell volume	1500.26 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1933
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7155990.cif
203439	2017-11-22	cif/ Adding structures of 7155990 via cif-deposit CGI script.	7155990.cif