Crystallography Open Database

Information card for entry 7718729

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Coordinates	7718729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H32 F3 N2 O5 P
Calculated formula	C14 H32 F3 N2 O5 P
Title of publication	Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.
Authors of publication	Kumar, Anuj; Murugavel, Ramaswamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	27
Pages of publication	10691 - 10709
a	33.849 ± 0.007 Å
b	6.3251 ± 0.0005 Å
c	25.455 ± 0.005 Å
α	90°
β	131.55 ± 0.03°
γ	90°
Cell volume	4079 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0998
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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