Crystallography Open Database

Information card for entry 1562545

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Structure parameters

Formula	C27 H38 O10
Calculated formula	C27 H38 O10
SMILES	o1c(=O)ccc([C@@H]2[C@@]3([C@](O)(C[C@@H]2O)[C@H]2[C@@H]([C@@]4([C@](O)(CC2)C[C@@H](O)C[C@H]4OC(=O)C)C=O)CC3)C)c1.OC
Title of publication	Cytotoxic Compounds from the Stem Bark of Two subsp. of <i>Bersama abyssinica</i>.
Authors of publication	Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C.
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	5
Pages of publication	1453 - 1458
a	7.1585 ± 0.0003 Å
b	16.5713 ± 0.0008 Å
c	10.8248 ± 0.0004 Å
α	90°
β	102.657 ± 0.002°
γ	90°
Cell volume	1252.89 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
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
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.	1562545.cif
265758	2021-06-04	cif/ Updating files of 1562544, 1562545, 1562546 Original log message: Adding full bibliography for 1562544--1562546.cif.	1562545.cif
265161	2021-05-13	cif/ Adding structures of 1562545 via cif-deposit CGI script.	1562545.cif