Crystallography Open Database

Information card for entry 1567171

Preview

Coordinates	1567171.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	20090z
Formula	C8 H16 N2 O4
Calculated formula	C8 H16 N2 O4
SMILES	C(C(=O)NCCCCNC(=O)CO)O
Title of publication	Ductile gas barrier poly(ester–amide)s derived from glycolide
Authors of publication	Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A.
Journal of publication	Polymer Chemistry
Year of publication	2022
Journal volume	13
Journal issue	26
Pages of publication	3882 - 3891
a	8.1288 ± 0.0006 Å
b	7.536 ± 0.0006 Å
c	8.551 ± 0.0006 Å
α	90°
β	113.285 ± 0.002°
γ	90°
Cell volume	481.16 ± 0.06 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 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	0.0367
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.095
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
276677 (current)	2022-07-06	cif/ Updating files of 1567170, 1567171, 1567172 Original log message: Adding full bibliography for 1567170--1567172.cif.	1567171.cif
276216	2022-06-24	cif/ Adding structures of 1567170, 1567171, 1567172 via cif-deposit CGI script.	1567171.cif