Crystallography Open Database

Information card for entry 1503943

Preview

Coordinates	1503943.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-((4E,5Z)-5-amino-4,5-bis(hydroxyimino)pentyl) -3H-pyrrole-5-carboxamide
Formula	C10 H15 N5 O3
Calculated formula	C10 H15 N5 O3
SMILES	O=C(NCCCC(=N\O)/C(N)=N/O)c1[nH]ccc1
Title of publication	Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin.
Authors of publication	Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	12
Pages of publication	2523 - 2526
a	6.936 ± 0.002 Å
b	17.283 ± 0.004 Å
c	20.657 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2476.3 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
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.	1503943.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503943.cif
39202	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503943, 1503944 via cif-deposit CGI script.	1503943.cif