Crystallography Open Database

Information card for entry 2220759

2220758 << 2220759 >> 2220760

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Structure parameters

Chemical name	Hydronium (3-oxo-1-phosphono-1,3-dihydroisobenzofuran-1-yl)phosphonate
Formula	C8 H10 O9 P2
Calculated formula	C8 H10 O9 P2
Title of publication	Hydronium (3-oxo-1-phosphono-1,3-dihydroisobenzofuran-1-yl)phosphonate
Authors of publication	Barbey, Carole; Retailleau, Pascal; Guénin, Erwann; Dupont, Nathalie
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	2
Pages of publication	o288 - o289
a	26.2271 ± 0.0009 Å
b	7.2913 ± 0.0003 Å
c	15.2621 ± 0.0006 Å
α	90°
β	124.103 ± 0.002°
γ	90°
Cell volume	2416.66 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0654
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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