Crystallography Open Database

Information card for entry 1506259

Preview

Coordinates	1506259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H41 N2 O11
Calculated formula	C34 H41 N2 O11
SMILES	C(=O)(N(c1c(cc(c(c1)C(=O)OC)OC)OC)Cc1c(cc(cc1)OC)OC)c1c(cc(c(c1)N(=O)=O)OCC(=C)C)OCC(C)C
Title of publication	Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.
Authors of publication	Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	22
Pages of publication	5117 - 5120
a	10.9275 ± 0.0014 Å
b	11.0354 ± 0.0011 Å
c	14.5086 ± 0.0015 Å
α	92.193 ± 0.001°
β	100.377 ± 0.002°
γ	96.85 ± 0.001°
Cell volume	1705.5 ± 0.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 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.	1506259.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506259.cif
48132	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506259 via cif-deposit CGI script.	1506259.cif