Crystallography Open Database

Information card for entry 1545008

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Structure parameters

Formula	C15 H18 O9
Calculated formula	C15 H18 O9
SMILES	O=C1O[C@@H](Cc2c(O)c(O[C@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)cc(O)c12)C
Title of publication	α-Glucosidase Inhibitors from Malbranchea flavorosea.
Authors of publication	Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	1
Pages of publication	190 - 195
a	5.1645 ± 0.0004 Å
b	13.0453 ± 0.0009 Å
c	22.127 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1490.75 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0428
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1545008.cif
191354	2017-02-04	cif/ Updating files of 1545008, 1545009 Original log message: Adding full bibliography for 1545008--1545009.cif.	1545008.cif
190035	2017-01-08	cif/ Adding structures of 1545008 via cif-deposit CGI script.	1545008.cif