Crystallography Open Database

Information card for entry 2239083

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Structure parameters

Chemical name	Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate
Formula	C16 H18 N6 O5
Calculated formula	C16 H18 N6 O5
Title of publication	Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate
Authors of publication	Koteswara Rao, Vandavasi; Siddiqui, Tausif; Zeller, Matthias; Lovelace-Cameron, Sherri R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o166 - o167
a	38.307 ± 0.018 Å
b	46.05 ± 0.02 Å
c	3.7832 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	6674 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2102
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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