Crystallography Open Database

Information card for entry 1506140

Preview

Coordinates	1506140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 N2 O5.5
Calculated formula	C15 H20.5 N2 O5.5
Title of publication	Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.
Authors of publication	Magnus, Philip; Padilla, Angela I.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	16
Pages of publication	3569 - 3571
a	21.944 ± 0.0004 Å
b	9.183 ± 0.0002 Å
c	15.902 ± 0.0004 Å
α	90°
β	99.197 ± 0.0007°
γ	90°
Cell volume	3163.25 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1616
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2159
Weighted residual factors for all reflections included in the refinement	0.2271
Goodness-of-fit parameter for all reflections included in the refinement	2.878
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	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.	1506140.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506140.cif
48031	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506140 via cif-deposit CGI script.	1506140.cif