Crystallography Open Database

Information card for entry 1503680

Preview

Coordinates	1503680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 N4 O5
Calculated formula	C40 H38 N4 O5
SMILES	C1(=O)[C@H]([C@H](c2ccccc2)Oc2ccc(/C=C\NC(=O)[C@H](Cc3ccccc3)N1)cc2)NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1
Title of publication	Amaiouine, a cyclopeptide alkaloid from the leaves of Amaioua guianensis.
Authors of publication	de Oliveira, Pollyanna Laurindo; Tanaka, Clara M. A.; Kato, Lucília; da Silva, Cleuza C.; Medina, Rebeca Previate; Moraes, Aline P.; Sabino, José R; de Oliveira, Cecília M A
Journal of publication	Journal of natural products
Year of publication	2009
Journal volume	72
Journal issue	6
Pages of publication	1195 - 1197
a	12.827 ± 0.002 Å
b	20.944 ± 0.004 Å
c	13.013 ± 0.002 Å
α	90°
β	90.26 ± 0.02°
γ	90°
Cell volume	3495.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1274
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.2188
Weighted residual factors for all reflections included in the refinement	0.2627
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1503680.cif
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	1503680.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503680.cif
38978	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503680 via cif-deposit CGI script.	1503680.cif