Crystallography Open Database

Information card for entry 1503698

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Structure parameters

Formula	C26 H27 O6
Calculated formula	C26 H27 O6
Title of publication	Antineoplastic agents. 579. Synthesis and cancer cell growth evaluation of E-stilstatin 3: a resveratrol structural modification.
Authors of publication	Pettit, George R.; Melody, Noeleen; Thornhill, Andrew; Knight, John C.; Groy, Thomas L.; Herald, Cherry L.
Journal of publication	Journal of natural products
Year of publication	2009
Journal volume	72
Journal issue	9
Pages of publication	1637 - 1642
a	6.839 ± 0.002 Å
b	16.92 ± 0.005 Å
c	19.998 ± 0.006 Å
α	90°
β	94.559 ± 0.006°
γ	90°
Cell volume	2306.8 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1503698.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503698.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503698.cif
38997	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503698 via cif-deposit CGI script.	1503698.cif