Crystallography Open Database

Information card for entry 2005501

2005500 << 2005501 >> 2005502

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Coordinates	2005501.cif
Original IUCr paper	HTML

Structure parameters

Common name	Monospiro(1,2-phenylenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene
Formula	C30 H20 F4 N3 O6 P3
Calculated formula	C30 H20 F4 N3 O6 P3
SMILES	P12(Oc3c(O1)cccc3)=NP(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)=NP(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)=N2
Title of publication	Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups
Authors of publication	Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	10
Pages of publication	2515 - 2520
a	11.3869 ± 0.0003 Å
b	12.6938 ± 0.0004 Å
c	12.8468 ± 0.0004 Å
α	62.04 ± 0.001°
β	74.175 ± 0.001°
γ	63.795 ± 0.001°
Cell volume	1466.53 ± 0.08 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for all reflections	0.1157
Weighted residual factors for significantly intense reflections	0.1051
Goodness-of-fit parameter for all reflections	1.037
Goodness-of-fit parameter for significantly intense reflections	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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