Crystallography Open Database

Information card for entry 1570093

Preview

Coordinates	1570093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Cr N2 O8
Calculated formula	C25 H27 Cr N2 O8
SMILES	[Cr]123(Oc4c(OC)cccc4C=[N]2c2c([N]3=Cc3c(O1)c(OC)ccc3)cccc2)([OH2])OC(=O)C.OC
Title of publication	Ring-opening terpolymerisation of phthalic thioanhydride with carbon dioxide and epoxides
Authors of publication	Stühler, Merlin R.; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	42
Pages of publication	4848 - 4855
a	10.7338 ± 0.0008 Å
b	10.8127 ± 0.0008 Å
c	11.6585 ± 0.0009 Å
α	98.341 ± 0.003°
β	100.448 ± 0.003°
γ	115.303 ± 0.003°
Cell volume	1164.7 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
287426 (current)	2023-11-06	cif/ Updating files of 1570093 Original log message: Adding full bibliography for 1570093.cif.	1570093.cif
286861	2023-10-10	cif/ Adding structures of 1570093 via cif-deposit CGI script.	1570093.cif