Crystallography Open Database

Information card for entry 2004737

2004736 << 2004737 >> 2004738

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Coordinates	2004737.cif
Original IUCr paper	HTML

Structure parameters

Formula	C10 H19 N O5.5 P
Calculated formula	C10 H19 N O5.5 P
Title of publication	3-Hydroxy-6-methyl-2-pyridylmethyl Isopropylphosphonate Sesquihydrate
Authors of publication	Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	4
Pages of publication	1058 - 1060
a	22.516 ± 0.005 Å
b	6.937 ± 0.001 Å
c	17.469 ± 0.004 Å
α	90°
β	101.51 ± 0.02°
γ	90°
Cell volume	2673.7 ± 1 Å³
Cell temperature	298 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.068
Goodness-of-fit parameter for significantly intense reflections	1.87
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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