Crystallography Open Database

Information card for entry 1545750

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Structure parameters

Chemical name	Phosphazene
Formula	C48 H54 N3 O24 P3 S6
Calculated formula	C48 H54 N3 O24 P3 S6
SMILES	S(=O)(=O)(OCC)c1ccc(OP2(Oc3ccc(S(=O)(=O)OCC)cc3)=NP(Oc3ccc(S(=O)(=O)OCC)cc3)(Oc3ccc(S(=O)(=O)OCC)cc3)=NP(Oc3ccc(S(=O)(=O)OCC)cc3)(Oc3ccc(S(=O)(=O)OCC)cc3)=N2)cc1
Title of publication	Preparation of Sulfonic Acid Functional Proton Conducting Phosphazenes by Covalent Protection
Authors of publication	Celebi, Elif Busra; Hacıvelioğlu, Ferda
Journal of publication	Polym. Chem.
Year of publication	2017
a	14.9225 ± 0.0002 Å
b	13.0558 ± 0.0002 Å
c	30.1455 ± 0.0005 Å
α	90°
β	97.7219 ± 0.0016°
γ	90°
Cell volume	5819.84 ± 0.15 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
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	0.0654
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1545750.cif
195483	2017-04-18	cif/ Adding structures of 1545750 via cif-deposit CGI script.	1545750.cif