Crystallography Open Database

Information card for entry 4115334

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Structure parameters

Formula	C26 H34 F6 N2 O6 P2 S2
Calculated formula	C26 H34 F6 N2 O6 P2 S2
SMILES	S(=O)(=O)(Op1n(p(OS(=O)(=O)C(F)(F)F)n1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(F)(F)F
Title of publication	Transformations between Monomeric, Dimeric, and Trimeric Phosphazanes: Oligomerizing NP Analogues of Olefins
Authors of publication	Neil Burford; T. Stanley Cameron; Korey D. Conroy; Bobby Ellis; Michael Lumsden; Charles L. B. Macdonald; Robert McDonald; Andrew D. Phillips; Paul J. Ragogna; Robert W. Schurko; Denise Walsh; Roderick E. Wasylishen
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	14012 - 14013
a	10.772 ± 0.002 Å
b	29.335 ± 0.003 Å
c	11.17 ± 0.002 Å
α	90°
β	106.53 ± 0.01°
γ	90°
Cell volume	3383.8 ± 1 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	7
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	0.0477
Residual factor for significantly intense reflections	0.048
Weighted residual factors for all reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections	1.418
Goodness-of-fit parameter for all reflections included in the refinement	1.42
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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