Crystallography Open Database

Information card for entry 1507005

Preview

Coordinates	1507005.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	03113b
Formula	C18 H24 I N O3
Calculated formula	C18 H24 I N O3
Title of publication	Amino acid-derived iodobenzene dicarboxylates: reagents for oxidative conversion of alkenes to amino acid esters.
Authors of publication	Koposov, Alexey Y.; Boyarskikh, Vyacheslav V.; Zhdankin, Viktor V.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	20
Pages of publication	3613 - 3615
a	9.6884 ± 0.0011 Å
b	17.902 ± 0.002 Å
c	11.163 ± 0.0013 Å
α	90°
β	93.511 ± 0.002°
γ	90°
Cell volume	1932.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1507005.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507005.cif
51602	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507005 via cif-deposit CGI script.	1507005.cif