Crystallography Open Database

Information card for entry 1505809

Preview

Coordinates	1505809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 I N O5
Calculated formula	C19 H24 I N O5
SMILES	Ic1c(CC2N(CC(=CC2=O)OCC(C)C)C(=O)OC)cccc1OC
Title of publication	Synthetic studies toward the haouamines.
Authors of publication	Grundl, Marc A.; Trauner, Dirk
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	1
Pages of publication	23 - 25
a	7.981 ± 0.001 Å
b	22.703 ± 0.004 Å
c	11.227 ± 0.002 Å
α	90°
β	92.995 ± 0.003°
γ	90°
Cell volume	2031.5 ± 0.6 Å³
Cell temperature	163.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for all reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0369
Goodness-of-fit parameter for all reflections included in the refinement	1.312
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.	1505809.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505809.cif
47756	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505809 via cif-deposit CGI script.	1505809.cif