Crystallography Open Database

Information card for entry 7060787

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Coordinates	7060787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 Cl4 N4 O2
Calculated formula	C22 H36 Cl4 N4 O2
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	7.6928 ± 0.0014 Å
b	17.17 ± 0.003 Å
c	20.59 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2719.6 ± 0.9 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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