Crystallography Open Database

Information card for entry 7156875

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Coordinates	7156875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H25 Cl2 N5
Calculated formula	C12 H25 Cl2 N5
Title of publication	Triaminopyrimidine derivatives as transmembrane HCl transporters
Authors of publication	Kocsis, Istvan Zsolt; Motloch, Petr; Guerreiro, Ana; Qiu Mexia De Azeredo, Carolina; Bernardes, Gonçalo J. L.; Hunter, Christopher Alexander
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2019
a	17.722 ± 0.0006 Å
b	17.722 ± 0.0006 Å
c	28.3433 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8901.8 ± 0.6 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1971
Weighted residual factors for all reflections included in the refinement	0.2281
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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