Crystallography Open Database

Information card for entry 7060783

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Coordinates	7060783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H35 Cl3 N4
Calculated formula	C15.998 H34.996 Cl2.996 N4
Title of publication	Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines
Authors of publication	Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	30
Pages of publication	13558 - 13570
a	9.5341 ± 0.0008 Å
b	20.2391 ± 0.0017 Å
c	11.4827 ± 0.001 Å
α	90°
β	100.217 ± 0.001°
γ	90°
Cell volume	2180.6 ± 0.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
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	0.0342
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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