Crystallography Open Database

Information card for entry 1513273

Preview

Structure parameters

Formula	C9 H15 N O4
Calculated formula	C9 H15 N O4
SMILES	O=C(NC1COC(OC1)OCC)C=C
Title of publication	Acid-Sensitive Polymeric Micelles Based on Thermoresponsive Block Copolymers with Pendent Cyclic Orthoester Groups
Authors of publication	Huang, Xiaonan; Du, Fusheng; Cheng, Jing; Dong, Yongquan; Liang, Dehai; Ji, Shouping; Lin, Shrong-Shi; Li, Zichen
Journal of publication	Macromolecules
Year of publication	2009
Journal volume	42
Journal issue	3
Pages of publication	783
a	24.132 ± 0.002 Å
b	9.2945 ± 0.0004 Å
c	9.5736 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2147.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.2128
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1513273.cif
176729	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.	1513273.cif
99194	2014-01-30	cif/ Adding structures of 1513273 via cif-deposit CGI script.	1513273.cif