Crystallography Open Database

Information card for entry 1562544

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Structure parameters

Formula	C26 H34 O7
Calculated formula	C26 H34 O7
SMILES	O1[C@@]2(O[C@@H]3C[C@@]41CC[C@@H]1[C@H](CC[C@@]5(C)[C@]1(O)C[C@H](O)[C@@H]5c1coc(=O)cc1)[C@@]4(C)[C@H](O2)C3)C
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	10.3562 ± 0.0006 Å
b	10.6612 ± 0.0006 Å
c	19.9903 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2207.1 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0288
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	1562544.cif
265758	2021-06-04	cif/ Updating files of 1562544, 1562545, 1562546 Original log message: Adding full bibliography for 1562544--1562546.cif.	1562544.cif
265160	2021-05-13	cif/ Adding structures of 1562544 via cif-deposit CGI script.	1562544.cif