Crystallography Open Database

Information card for entry 1557360

Preview

Coordinates	1557360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 N2 O4
Calculated formula	C8 H14 N2 O4
SMILES	C(CN1C(=O)CN(CCO)C(=O)C1)O
Title of publication	Synthesis and mechanistic investigations of pH-responsive cationic poly(aminoester)s
Authors of publication	Blake, Timothy R.; Ho, Wilson C.; Turlington, Christopher R.; Zang, Xiaoyu; Huttner, Melanie A.; Wender, Paul A.; Waymouth, Robert M.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	11
Pages of publication	2951 - 2966
a	5.6483 ± 0.0005 Å
b	9.0345 ± 0.0007 Å
c	9.1851 ± 0.0009 Å
α	90°
β	103.599 ± 0.004°
γ	90°
Cell volume	455.57 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
257405 (current)	2020-10-06	cif/ Updating files of 1557360 Original log message: Adding full bibliography for 1557360.cif.	1557360.cif
250249	2020-04-05	cif/ Updating files of 1557360 Original log message: Adding full bibliography for 1557360.cif.	1557360.cif
248356	2020-02-21	cif/ Adding structures of 1557360 via cif-deposit CGI script.	1557360.cif