Crystallography Open Database

Information card for entry 1505674

Preview

Coordinates	1505674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 N O6
Calculated formula	C17 H21 N O6
SMILES	C[C@@H]1OC(=O)[C@@H](OC1=O)CCCCNC(=O)OCc1ccccc1
Title of publication	Functional lactide monomers: methodology and polymerization.
Authors of publication	Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus
Journal of publication	Biomacromolecules
Year of publication	2006
Journal volume	7
Journal issue	6
Pages of publication	1735 - 1742
a	4.95 ± 0.001 Å
b	5.1931 ± 0.0009 Å
c	33.2 ± 0.007 Å
α	91.997 ± 0.01°
β	92.826 ± 0.011°
γ	90.042 ± 0.013°
Cell volume	851.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1973
Weighted residual factors for all reflections included in the refinement	0.2059
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1505674.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505674.cif
47364	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505674 via cif-deposit CGI script.	1505674.cif