Crystallography Open Database

Information card for entry 4316775

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Coordinates	4316775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 K4 N2 O11 P2
Calculated formula	C16 H18 K4 N2 O11 P2
Title of publication	Synthesis and Reactivity of (Benzoxazol-2-ylmethyl)phosphonic Acid
Authors of publication	Sylvie Pailloux; Cornel Edicome Shirima; Karen Ann Smith; Eileen N. Duesler; Robert T. Paine; Neil J. Williams; Robert D. Hancock
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9369 - 9379
a	34.134 ± 0.002 Å
b	9.7662 ± 0.0006 Å
c	7.1209 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2373.8 ± 0.2 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0208
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0467
Weighted residual factors for all reflections included in the refinement	0.047
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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