Crystallography Open Database

Information card for entry 4316774

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Coordinates	4316774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7 K N O4 P
Calculated formula	C8 H7 K N O4 P
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	15.2517 ± 0.0007 Å
b	4.6921 ± 0.0002 Å
c	14.1701 ± 0.0007 Å
α	90°
β	98.359 ± 0.002°
γ	90°
Cell volume	1003.28 ± 0.08 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 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	0.0324
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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