Crystallography Open Database

Information card for entry 1505219

Preview

Structure parameters

Formula	C15 H22 O2
Calculated formula	C15 H22 O2
SMILES	C12=CC[C@H]3[C@]([C@@H]1COC2=O)(CCCC3(C)C)C
Title of publication	Cinnamacrins A-C, cinnafragrin D, and cytostatic metabolites with alpha-glucosidase inhibitory activity from Cinnamosma macrocarpa.
Authors of publication	Harinantenaina, Liva; Asakawa, Yoshinori; De Clercq, Erik
Journal of publication	Journal of natural products
Year of publication	2007
Journal volume	70
Journal issue	2
Pages of publication	277 - 282
a	7.631 ± 0.0003 Å
b	12.049 ± 0.0005 Å
c	14.522 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1335.24 ± 0.1 Å³
Cell temperature	298 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	0.0624
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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.	1505219.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1505219.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505219.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505219.cif
45429	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505219 via cif-deposit CGI script.	1505219.cif